Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 25 results

Search term: C50H71N13O12 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
150504

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
C50H71N13O121046.17867510836899129
58652

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41?/m0/s1
C50H71N13O121046.1786111300
23776

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)
C50H71N13O121046.1786722319911
35308249

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34+,35-,36-,37+,38+,40-,41-/m0/s1
C50H71N13O121046.17866800
8829014

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C50H71N13O12/c1-27(2)40(61-42(67)34(13-9-19-54-50(51)52)57-44(69)38(25-64)56-29(5)65)46(71)58-35(21-31-15-17-33(66)18-16-31)43(68)62-41(28(3)4)47(72)59-36(23-32-24-53-26-55-32)48(73)63-20-10-14-39(63)45(70)60-37(49(74)75)22-30-11-7-6-8-12-30/h6-8,11-12,15-18,24,26-28,34-41,64,66H,9-10,13-14,19-23,25H2,1-5H3,(H,53,55)(H,56,65)(H,57,69)(H,58,71)(H,59,72)(H,60,70)(H,61,67)(H,62,68)(H,74,75)(H4,51,52,54)/t34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
C50H71N13O121046.17865400
23221313

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33+,34-,35-,36-,37-,38-,40-,41-/m0/s1
C50H71N13O121046.17865400
26567305

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34+,35+,36-,37-,38+,40+,41+/m0/s1
C50H71N13O121046.17863200
26640833

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34+,35-,36-,37-,38+,40-,41+/m0/s1
C50H71N13O121046.17862200
30810811

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C50H71N13O12/c1-27(2)39(60-42(68)34(13-9-19-55-49(52)53)57-41(67)33(51)23-38(65)66)45(71)58-35(21-29-15-17-32(64)18-16-29)43(69)61-40(28(3)4)46(72)59-36(22-31-25-54-26-56-31)47(73)63-20-10-14-37(63)44(70)62-50(5,48(74)75)24-30-11-7-6-8-12-30/h6-8,11-12,15-18,25-28,33-37,39-40,64H,9-10,13-14,19-24,51H2,1-5H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,68)(H,61,69)(H,62,70)(H,65,66)(H,74,75)(H4,52,53,55)/t33-,34-,35-,36-,37-,39-,40-,50-/m0/s1
C50H71N13O121046.17862200
30845142

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-55-56-26-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-54-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,55,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,54)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
C50H71N13O121046.17862200
30845143

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-35(26-38-54-20-21-55-38)48(73)63-22-10-14-37(63)45(70)60-36(49(74)75)24-29-11-7-6-8-12-29)62-44(69)34(23-30-15-17-31(64)18-16-30)58-46(71)40(27(2)3)61-43(68)33(13-9-19-56-50(52)53)57-42(67)32(51)25-39(65)66/h6-8,11-12,15-18,20-21,27-28,32-37,40-41,64H,5,9-10,13-14,19,22-26,51H2,1-4H3,(H,54,55)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,56)/t28-,32-,33-,34-,35-,36-,37-,40-,41-/m0/s1
C50H71N13O121046.17862200
30845751

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36+,37-,38-,40-,41-/m0/s1
C50H71N13O121046.17862200
34241107

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)58-36(25-31-19-21-55-62-31)48(73)63-22-10-14-38(63)45(70)59-37(49(74)75)24-29-11-7-6-8-12-29)61-44(69)35(23-30-15-17-32(64)18-16-30)57-46(71)40(27(2)3)60-43(68)34(13-9-20-54-50(52)53)56-42(67)33(51)26-39(65)66/h6-8,11-12,15-19,21,27-28,33-38,40-41,64H,5,9-10,13-14,20,22-26,51H2,1-4H3,(H,55,62)(H,56,67)(H,57,71)(H,58,72)(H,59,70)(H,60,68)(H,61,69)(H,65,66)(H,74,75)(H4,52,53,54)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
C50H71N13O121046.17862200
34242332

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-35(26-38-54-20-21-55-38)48(73)63-22-10-14-37(63)45(70)60-36(49(74)75)24-29-11-7-6-8-12-29)62-44(69)34(23-30-15-17-31(64)18-16-30)58-46(71)40(27(2)3)61-43(68)33(13-9-19-56-50(52)53)57-42(67)32(51)25-39(65)66/h6-8,11-12,15-18,20-21,27-28,32-37,40-41,64H,5,9-10,13-14,19,22-26,51H2,1-4H3,(H,54,55)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,56)/t28-,32-,33-,34-,35+,36-,37-,40-,41-/m0/s1
C50H71N13O121046.17862200
23126078

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-30-15-17-32(64)18-16-30)62-44(69)35(21-29-11-7-6-8-12-29)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38+,40-,41-/m0/s1
C50H71N13O121046.17862200
23177739

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38+,40-,41-/m0/s1
C50H71N13O121046.182200
23221293

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34+,35-,36-,37-,38-,40-,41-/m0/s1
C50H71N13O121046.17862200
571000

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40+,41?/m0/s1
C50H71N13O121046.17862200
8008937

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C50H71N13O12/c1-27(2)20-35(44(69)60-37(23-31-25-54-26-56-31)48(73)63-19-9-13-39(63)46(71)61-38(49(74)75)22-29-10-6-5-7-11-29)58-45(70)36(21-30-14-16-32(64)17-15-30)59-47(72)41(28(3)4)62-43(68)34(12-8-18-55-50(52)53)57-42(67)33(51)24-40(65)66/h5-7,10-11,14-17,25-28,33-39,41,64H,8-9,12-13,18-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,70)(H,59,72)(H,60,69)(H,61,71)(H,62,68)(H,65,66)(H,74,75)(H4,52,53,55)/t33-,34-,35-,36-,37-,38-,39-,41-/m0/s1
C50H71N13O121046.17862100
8410734

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C50H71N13O12/c1-4-5-13-34(43(68)60-37(24-31-26-54-27-56-31)48(73)63-21-10-15-39(63)46(71)61-38(49(74)75)23-29-11-7-6-8-12-29)58-45(70)36(22-30-16-18-32(64)19-17-30)59-47(72)41(28(2)3)62-44(69)35(14-9-20-55-50(52)53)57-42(67)33(51)25-40(65)66/h6-8,11-12,16-19,26-28,33-39,41,64H,4-5,9-10,13-15,20-25,51H2,1-3H3,(H,54,56)(H,57,67)(H,58,70)(H,59,72)(H,60,68)(H,61,71)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t33-,34-,35-,36-,37-,38-,39-,41-/m0/s1
C50H71N13O121046.17862100
12

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