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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: C58H92O29 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9226656

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C58H92O29/c1-20-30(65)32(67)36(71)48(80-20)83-41-27(63)18-78-47(39(41)74)82-40-21(2)81-49(38(73)35(40)70)85-43-31(66)26(62)17-79-51(43)87-52(77)58-12-11-53(3,4)13-23(58)22-9-10-28-54(5)14-25(61)45(86-50-37(72)33(68)34(69)42(84-50)46(75)76)55(6,19-59)44(54)24(60)15-57(28,8)56(22,7)16-29(58)64/h9,20-21,23-45,47-51,59-74H,10-19H2,1-8H3,(H,75,76)/t20-,21-,23-,24+,25-,26-,27+,28+,29+,30-,31-,32+,33-,34-,35-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45-,47-,48-,49-,50-,51-,54+,55-,56+,57+,58+/m0/s1
C58H92O291253.33376500
10142557

20 of 32 defined stereocentres - 20/32 defined
InChI=1/C58H92O29/c1-23-40(83-45-39(72)41(28(64)19-78-45)84-49-43(73)56(76,20-60)22-80-49)36(69)38(71)46(81-23)85-42-33(66)27(63)18-79-48(42)87-51(75)57-13-12-52(2,3)14-25(57)24-8-9-30-53(4)15-26(62)44(86-47-37(70)35(68)34(67)29(17-59)82-47)58(21-61,50(74)77-7)31(53)10-11-54(30,5)55(24,6)16-32(57)65/h8,23,25-49,59-73,76H,9-22H2,1-7H3/t23-,25?,26?,27-,28-,29-,30?,31?,32?,33-,34-,35+,36+,37-,38-,39-,40+,41-,42-,43+,44?,45+,46+,47+,48+,49+,53?,54?,55?,56?,57?,58?/m1/s1
C58H92O291253.33372200
8549627

33 of 33 defined stereocentres - 33/33 defined
InChI=1/C58H92O29/c1-22-14-57(86-48(22)75)15-23(2)58(87-57)13-9-27-25-6-7-32-54(4,26(25)8-12-55(27,58)5)11-10-33(56(32,20-61)21-62)82-50-43(73)41(71)37(67)31(81-50)19-77-52-46(35(65)28(63)18-76-52)84-53-47(85-49-42(72)39(69)34(64)24(3)78-49)45(38(68)30(17-60)80-53)83-51-44(74)40(70)36(66)29(16-59)79-51/h22-24,27-47,49-53,59-74H,6-21H2,1-5H3/t22-,23-,24+,27+,28+,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,39-,40+,41+,42-,43-,44-,45+,46-,47-,49+,50+,51+,52+,53+,54-,55+,57+,58+/m1/s1
C58H92O291253.33372100
553089

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C58H92O29/c1-20-30(65)32(67)36(71)48(80-20)83-41-27(63)18-78-47(39(41)74)82-40-21(2)81-49(38(73)35(40)70)85-43-31(66)26(62)17-79-51(43)87-52(77)58-12-11-53(3,4)13-23(58)22-9-10-28-54(5)14-25(61)45(86-50-37(72)33(68)34(69)42(84-50)46(75)76)55(6,19-59)44(54)24(60)15-57(28,8)56(22,7)16-29(58)64/h9,20-21,23-45,47-51,59-74H,10-19H2,1-8H3,(H,75,76)/t20-,21-,23+,24-,25+,26+,27+,28-,29-,30-,31+,32-,33+,34-,35-,36+,37-,38-,39-,40+,41+,42+,43-,44-,45+,47-,48+,49-,50-,51-,54-,55+,56-,57-,58-/m1/s1
C58H92O291253.33371100
71044170

32 of 34 defined stereocentres - 32/34 defined
InChI=1/C58H92O29/c1-21-42(83-46-38(71)32(65)25(62)19-78-46)37(70)40(73)47(80-21)85-44-33(66)26(63)20-79-50(44)87-52(77)58-13-12-53(2,3)14-23(58)22-8-9-29-54(4)15-24(61)45(57(7,51(75)76)30(54)10-11-55(29,5)56(22,6)16-31(58)64)86-49-41(74)43(35(68)28(18-60)82-49)84-48-39(72)36(69)34(67)27(17-59)81-48/h8,21,23-50,59-74H,9-20H2,1-7H3,(H,75,76)/t21-,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-,49-,50-,54+,55+,56+,57-,58+/m0/s1
C58H92O291253.33371300

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