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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 11 results

Search term: C48H81N3O36 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24606126

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C48H81N3O36/c1-11(58)49-21-28(65)37(17(7-55)76-42(21)74)83-43-22(50-12(2)59)29(66)39(19(9-57)80-43)85-47-36(73)40(86-46-35(72)32(69)25(62)15(5-53)78-46)27(64)20(82-47)10-75-48-41(33(70)26(63)16(6-54)79-48)87-44-23(51-13(3)60)30(67)38(18(8-56)81-44)84-45-34(71)31(68)24(61)14(4-52)77-45/h14-48,52-57,61-74H,4-10H2,1-3H3,(H,49,58)(H,50,59)(H,51,60)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25-,26-,27-,28-,29-,30-,31+,32+,33+,34-,35+,36+,37-,38-,39-,40+,41+,42-,43+,44+,45+,46-,47+,48+/m1/s1
C48H81N3O361276.15523900
24606127

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C48H81N3O36/c1-11(58)49-21-28(65)37(17(7-55)76-42(21)74)83-43-22(50-12(2)59)29(66)39(19(9-57)80-43)85-47-36(73)40(27(64)20(82-47)10-75-45-34(71)31(68)24(61)14(4-52)77-45)86-48-41(33(70)26(63)16(6-54)79-48)87-44-23(51-13(3)60)30(67)38(18(8-56)81-44)84-46-35(72)32(69)25(62)15(5-53)78-46/h14-48,52-57,61-74H,4-10H2,1-3H3,(H,49,58)(H,50,59)(H,51,60)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45+,46+,47+,48-/m1/s1
C48H81N3O361276.15523900
26332735

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C48H81N3O36/c1-11(58)49-21-28(65)37(83-46-33(70)31(68)24(61)14(4-52)77-46)17(7-55)79-43(21)75-10-20-27(64)41(87-45-23(51-13(3)60)29(66)38(18(8-56)81-45)84-47-34(71)32(69)25(62)15(5-53)78-47)36(73)48(82-20)85-39-19(9-57)80-44(22(30(39)67)50-12(2)59)86-40-26(63)16(6-54)76-42(74)35(40)72/h14-48,52-57,61-74H,4-10H2,1-3H3,(H,49,58)(H,50,59)(H,51,60)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40+,41+,42-,43-,44+,45+,46+,47+,48+/m1/s1
C48H81N3O361276.15522300
128434172

34 of 35 defined stereocentres - 34/35 defined
InChI=1/C48H81N3O36/c1-11(57)49-21-30(66)38(17(7-55)77-42(21)74)84-44-23(51-13(3)59)31(67)39(18(8-56)81-44)85-47-37(73)40(86-48-41(34(70)26(62)16(6-54)80-48)87-43-22(50-12(2)58)29(65)24(60)14(4-52)78-43)28(64)20(83-47)10-76-46-36(72)33(69)27(63)19(82-46)9-75-45-35(71)32(68)25(61)15(5-53)79-45/h14-48,52-56,60-74H,4-10H2,1-3H3,(H,49,57)(H,50,58)(H,51,59)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+,37+,38-,39-,40+,41+,42?,43+,44+,45+,46+,47+,48-/m1/s1
C48H81N3O361276.15522200
128434179

34 of 35 defined stereocentres - 34/35 defined
InChI=1/C48H81N3O36/c1-11(58)49-21-30(67)37(18(8-56)76-42(21)74)83-44-23(51-13(3)60)31(68)38(19(9-57)81-44)84-46-36(73)39(85-48-41(34(71)27(64)17(7-55)80-48)86-43-22(50-12(2)59)29(66)24(61)14(4-52)77-43)28(65)20(82-46)10-75-47-40(33(70)26(63)16(6-54)79-47)87-45-35(72)32(69)25(62)15(5-53)78-45/h14-48,52-57,61-74H,4-10H2,1-3H3,(H,49,58)(H,50,59)(H,51,60)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+,37-,38-,39+,40+,41+,42?,43+,44+,45-,46+,47+,48-/m1/s1
C48H81N3O361276.15522200
8394811

32 of 35 defined stereocentres - 32/35 defined
InChI=1/C48H81N3O36/c1-11(59)49-21-39(85-46-33(71)28(66)24(62)14(4-52)79-46)25(63)15(5-53)77-44(21)83-37-19(9-57)81-48(35(73)30(37)68)87-41-23(51-13(3)61)45(78-17(7-55)27(41)65)84-38-20(10-58)80-47(34(72)31(38)69)86-40-22(50-12(2)60)43(76-16(6-54)26(40)64)82-36-18(8-56)75-42(74)32(70)29(36)67/h14-48,52-58,62-74H,4-10H2,1-3H3,(H,49,59)(H,50,60)(H,51,61)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41?,42?,43+,44+,45+,46+,47?,48+/m1/s1
C48H81N3O361276.15522100
8416202

33 of 35 defined stereocentres - 33/35 defined
InChI=1/C48H81N3O36/c1-11(59)49-21-38(82-41-34(72)37(19(9-57)76-43(41)74)85-46-23(51-13(3)61)39(26(64)17(7-55)79-46)86-47-32(70)28(66)24(62)14(4-52)80-47)25(63)15(5-53)77-44(21)84-36-20(10-58)81-48(33(71)30(36)68)87-40-22(50-12(2)60)45(78-16(6-54)27(40)65)83-35-18(8-56)75-42(73)31(69)29(35)67/h14-48,52-58,62-74H,4-10H2,1-3H3,(H,49,59)(H,50,60)(H,51,61)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-,32-,33-,34+,35-,36-,37-,38-,39-,40-,41-,42?,43?,44+,45+,46+,47+,48+/m1/s1
C48H81N3O361276.15522100
9993485

34 of 35 defined stereocentres - 34/35 defined
InChI=1/C48H81N3O36/c1-11(59)49-21-39(85-46-33(71)28(66)24(62)14(4-52)79-46)25(63)15(5-53)77-44(21)83-37-19(9-57)81-48(35(73)30(37)68)87-41-23(51-13(3)61)45(78-17(7-55)27(41)65)84-38-20(10-58)80-47(34(72)31(38)69)86-40-22(50-12(2)60)43(76-16(6-54)26(40)64)82-36-18(8-56)75-42(74)32(70)29(36)67/h14-48,52-58,62-74H,4-10H2,1-3H3,(H,49,59)(H,50,60)(H,51,61)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42?,43+,44+,45+,46+,47+,48+/m1/s1
C48H81N3O361276.15522100
8238284

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C48H81N3O36/c1-11(58)49-21-30(67)37(18(8-56)76-42(21)74)84-46-36(73)39(28(65)20(82-46)10-75-47-40(33(70)26(63)16(6-54)79-47)86-43-22(50-12(2)59)29(66)24(61)14(4-52)77-43)85-48-41(34(71)27(64)17(7-55)80-48)87-44-23(51-13(3)60)31(68)38(19(9-57)81-44)83-45-35(72)32(69)25(62)15(5-53)78-45/h14-48,52-57,61-74H,4-10H2,1-3H3,(H,49,58)(H,50,59)(H,51,60)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26-,27-,28-,29-,30-,31-,32+,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48-/m1/s1
C48H81N3O361276.15521100
128920046

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C48H81N3O36/c1-11(58)49-21-30(67)37(18(8-56)76-42(21)74)83-44-23(51-13(3)60)31(68)38(19(9-57)81-44)84-46-36(73)39(85-48-41(34(71)27(64)17(7-55)80-48)86-43-22(50-12(2)59)29(66)24(61)14(4-52)77-43)28(65)20(82-46)10-75-47-40(33(70)26(63)16(6-54)79-47)87-45-35(72)32(69)25(62)15(5-53)78-45/h14-48,52-57,61-74H,4-10H2,1-3H3,(H,49,58)(H,50,59)(H,51,60)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+,37-,38-,39+,40+,41+,42-,43+,44+,45-,46+,47+,48-/m1/s1
C48H81N3O361276.15521100
128920069

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C48H81N3O36/c1-11(57)49-21-30(66)38(17(7-55)77-42(21)74)84-44-23(51-13(3)59)31(67)39(18(8-56)81-44)85-47-37(73)40(86-48-41(34(70)26(62)16(6-54)80-48)87-43-22(50-12(2)58)29(65)24(60)14(4-52)78-43)28(64)20(83-47)10-76-46-36(72)33(69)27(63)19(82-46)9-75-45-35(71)32(68)25(61)15(5-53)79-45/h14-48,52-56,60-74H,4-10H2,1-3H3,(H,49,57)(H,50,58)(H,51,59)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+,37+,38-,39-,40+,41+,42-,43+,44+,45+,46+,47+,48-/m1/s1
C48H81N3O361276.15521100

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