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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 6 results

Search term: C48H73N13O12 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10186306

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C48H73N13O12/c1-26(23-27(2)37(73-7)24-31-13-9-8-10-14-31)17-18-32-28(3)40(64)59-35(45(69)70)19-20-39(63)61(6)30(5)42(66)55-29(4)41(65)58-34(16-12-22-54-48(51)52)44(68)60-36(46(71)72)25-38(62)56-33(43(67)57-32)15-11-21-53-47(49)50/h8-10,13-14,17-18,23,27-29,32-37H,5,11-12,15-16,19-22,24-25H2,1-4,6-7H3,(H,55,66)(H,56,62)(H,57,67)(H,58,65)(H,59,64)(H,60,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,26-23+/t27-,28-,29+,32-,33-,34-,35+,36+,37-/m0/s1
C48H73N13O121024.17314300
21259051

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C48H73N13O12/c1-25(23-26(2)36(73-7)24-31-13-9-8-10-14-31)17-18-32-27(3)39(63)60-35(45(69)70)19-20-37(62)55-29(5)41(65)56-30(6)42(66)59-34(16-12-22-54-48(51)52)44(68)61-38(46(71)72)28(4)40(64)58-33(43(67)57-32)15-11-21-53-47(49)50/h8-10,13-14,17-18,23,26-28,30,32-36,38H,5,11-12,15-16,19-22,24H2,1-4,6-7H3,(H,55,62)(H,56,65)(H,57,67)(H,58,64)(H,59,66)(H,60,63)(H,61,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,25-23+/t26-,27-,28-,30+,32-,33-,34-,35+,36-,38+/m0/s1
C48H73N13O121024.17314300
57546277

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C48H73N13O12/c1-7-31-42(66)55-29(5)41(65)59-34(16-12-22-54-48(51)52)44(68)61-36(46(71)72)25-39(63)57-33(15-11-21-53-47(49)50)43(67)58-32(28(4)40(64)60-35(45(69)70)19-20-38(62)56-31)18-17-26(2)23-27(3)37(73-6)24-30-13-9-8-10-14-30/h7-10,13-14,17-18,23,27-29,32-37H,11-12,15-16,19-22,24-25H2,1-6H3,(H,55,66)(H,56,62)(H,57,63)(H,58,67)(H,59,65)(H,60,64)(H,61,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,26-23+,31-7-/t27-,28-,29+,32-,33-,34-,35+,36+,37-/m0/s1
C48H73N13O121024.17313200
49071896

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C48H73N13O12/c1-7-31-42(66)55-29(5)41(65)59-34(16-12-22-54-48(51)52)44(68)61-36(46(71)72)25-39(63)57-33(15-11-21-53-47(49)50)43(67)58-32(28(4)40(64)60-35(45(69)70)19-20-38(62)56-31)18-17-26(2)23-27(3)37(73-6)24-30-13-9-8-10-14-30/h7-10,13-14,17-18,23,27-29,32-37H,11-12,15-16,19-22,24-25H2,1-6H3,(H,55,66)(H,56,62)(H,57,63)(H,58,67)(H,59,65)(H,60,64)(H,61,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,26-23+,31-7+/t27-,28-,29+,32-,33-,34-,35+,36+,37-/m0/s1
C48H73N13O121024.17312300
4945431

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C48H73N13O12/c1-25(23-26(2)36(73-7)24-31-13-9-8-10-14-31)17-18-32-27(3)39(63)60-35(45(69)70)19-20-37(62)55-29(5)41(65)56-30(6)42(66)59-34(16-12-22-54-48(51)52)44(68)61-38(46(71)72)28(4)40(64)58-33(43(67)57-32)15-11-21-53-47(49)50/h8-10,13-14,17-18,23,26-28,30,32-36,38H,5,11-12,15-16,19-22,24H2,1-4,6-7H3,(H,55,62)(H,56,65)(H,57,67)(H,58,64)(H,59,66)(H,60,63)(H,61,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,25-23+/t26-,27-,28+,30+,32-,33-,34+,35+,36-,38+/m0/s1
C48H73N13O121024.17312200
78445186

Double-bond stereo

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C48H73N13O12/c1-7-31-42(66)55-29(5)41(65)59-34(16-12-22-54-48(51)52)44(68)61-36(46(71)72)25-39(63)57-33(15-11-21-53-47(49)50)43(67)58-32(28(4)40(64)60-35(45(69)70)19-20-38(62)56-31)18-17-26(2)23-27(3)37(73-6)24-30-13-9-8-10-14-30/h7-10,13-14,17-18,23,27-29,32-37H,11-12,15-16,19-22,24-25H2,1-6H3,(H,55,66)(H,56,62)(H,57,63)(H,58,67)(H,59,65)(H,60,64)(H,61,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,26-23+,31-7+/t27?,28?,29-,32?,33+,34+,35-,36-,37?/m1/s1
C48H73N13O121024.17311100

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