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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 8 results

Search term: C51H80O21 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8616491

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C51H80O21/c1-23-36-32(72-51(23)14-9-25(21-66-51)20-64-35(55)18-48(3,62)17-34(54)63-6)16-30-28-8-7-26-15-27(10-12-49(26,4)29(28)11-13-50(30,36)5)68-47-44(71-46-42(61)40(59)37(56)24(2)67-46)43(39(58)33(19-52)69-47)70-45-41(60)38(57)31(53)22-65-45/h7,23-25,27-33,36-47,52-53,56-62H,8-22H2,1-6H3/t23-,24-,25-,27-,28+,29-,30-,31-,32-,33+,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46-,47+,48-,49-,50-,51+/m0/s1
C51H80O211029.16832100
8685655

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C51H80O21/c1-22-36(67-23(2)54)35(61)39(68-24(3)55)44(66-22)72-41-40(62)47(5)16-17-50(8)25(26(47)18-46(41,4)20-52)10-11-29-48(6)14-13-30(49(7,21-53)28(48)12-15-51(29,50)9)69-45-38(33(59)32(58)37(70-45)42(63)64)71-43-34(60)31(57)27(56)19-65-43/h10,22,26-41,43-45,52-53,56-62H,11-21H2,1-9H3,(H,63,64)/t22-,26-,27+,28+,29+,30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41-,43-,44-,45+,46+,47+,48-,49-,50+,51+/m0/s1
C51H80O211029.16832100
8757277

24 of 25 defined stereocentres - 24/25 defined
InChI=1/C51H80O21/c1-22-32(57)34(59)38(63)43(66-22)71-40-35(60)33(58)25(20-52)67-44(40)72-41-37(62)36(61)39(42(64)65)70-45(41)69-28-12-13-48(5)26(49(28,6)21-53)11-14-51(8)27(48)10-9-23-24-18-46(2,3)19-29(68-31(56)17-30(54)55)47(24,4)15-16-50(23,51)7/h9,22,24-29,32-41,43-45,52-53,57-63H,10-21H2,1-8H3,(H,54,55)(H,64,65)/t22-,24-,25+,26?,27+,28-,29+,32-,33-,34+,35-,36-,37-,38+,39-,40+,41+,43-,44-,45+,47+,48-,49+,50+,51+/m0/s1
C51H80O211029.16832100
23326646

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C51H80O21/c1-21-11-14-51(16-15-49(5)23-9-10-30-48(3,4)31(70-44-38(60)33(55)27(53)19-65-44)12-13-50(30,6)24(23)7-8-25(49)26(51)17-21)47(64)72-46-40(62)36(58)34(56)29(69-46)20-66-43-41(63)37(59)42(28(18-52)68-43)71-45-39(61)35(57)32(54)22(2)67-45/h8,22-24,26-46,52-63H,1,7,9-20H2,2-6H3/t22-,23+,24-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50+,51-/m0/s1
C51H80O211029.16832200
58922955

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C51H80O21/c1-22-9-14-51(46(64)72-45-39(62)36(59)34(57)28(69-45)21-67-42-38(61)35(58)33(56)27(18-52)68-42)16-15-49(5)23(24(51)17-22)7-8-30-48(4)12-11-31(47(2,3)29(48)10-13-50(30,49)6)70-44-40(63)41(26(54)20-66-44)71-43-37(60)32(55)25(53)19-65-43/h7,24-45,52-63H,1,8-21H2,2-6H3/t24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,45-,48-,49+,50+,51-/m0/s1
C51H80O211029.16832200
71044154

23 of 25 defined stereocentres - 23/25 defined
InChI=1/C51H80O21/c1-22-38(69-31(57)17-30(55)56)36(62)37(63)43(66-22)71-40-33(59)32(58)25(20-52)67-44(40)72-41-35(61)34(60)39(42(64)65)70-45(41)68-29-12-13-48(5)26(49(29,6)21-53)11-14-51(8)27(48)10-9-23-24-18-46(2,3)19-28(54)47(24,4)15-16-50(23,51)7/h9,22,24-29,32-41,43-45,52-54,58-63H,10-21H2,1-8H3,(H,55,56)(H,64,65)/t22-,24-,25+,26?,27?,28+,29-,32-,33-,34-,35-,36-,37+,38-,39-,40+,41+,43-,44-,45+,47+,48-,49+,50+,51+/m0/s1
C51H80O211029.16831300
113385309

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C51H80O21/c1-20(19-64-46-40(60)39(59)36(56)31(17-52)69-46)7-10-29-21(2)33-30(68-29)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)67-49-45(72-48-42(62)38(58)35(55)23(4)66-48)43(63)44(32(18-53)70-49)71-47-41(61)37(57)34(54)22(3)65-47/h8,20,22-23,25-28,31-32,34-49,52-63H,7,9-19H2,1-6H3/t20-,22+,23+,25+,26-,27+,28+,31-,32-,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50+,51+/m1/s1
C51H80O211029.16831100
13091555

21 of 27 defined stereocentres - 21/27 defined
InChI=1/C51H80O21/c1-22-35-31(72-51(22)14-9-24(21-65-51)30(54)17-48(3,63)18-34(55)64-6)16-29-27-8-7-25-15-26(10-12-49(25,4)28(27)11-13-50(29,35)5)67-47-44(71-45-40(60)38(58)36(56)23(2)66-45)42(62)43(33(20-53)69-47)70-46-41(61)39(59)37(57)32(19-52)68-46/h7,22-24,26-29,31-33,35-47,52-53,56-63H,8-21H2,1-6H3/t22-,23-,24+,26-,27?,28?,29?,31?,32-,33+,35?,36-,37-,38+,39+,40+,41-,42-,43+,44+,45-,46+,47+,48-,49-,50-,51?/m0/s1
C51H80O211029.16831100

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