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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 7 results

Search term: C44H75NO36 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24606111

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C44H75NO36/c1-9(52)45-17-24(59)33(15(7-51)70-38(17)68)77-42-32(67)35(79-44-37(28(63)21(56)13(5-49)75-44)81-41-30(65)26(61)19(54)11(3-47)73-41)23(58)16(76-42)8-69-39-31(66)34(22(57)14(6-50)71-39)78-43-36(27(62)20(55)12(4-48)74-43)80-40-29(64)25(60)18(53)10(2-46)72-40/h10-44,46-51,53-68H,2-8H2,1H3,(H,45,52)/t10-,11-,12-,13-,14-,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-/m1/s1
C44H75NO361194.05141600
24606112

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C44H75NO36/c1-9(51)45-17-24(58)34(14(6-50)71-38(17)68)78-43-33(67)36(79-41-30(64)26(60)19(53)11(3-47)73-41)23(57)16(77-43)8-70-40-32(66)35(22(56)15(76-40)7-69-39-29(63)25(59)18(52)10(2-46)72-39)80-44-37(28(62)21(55)13(5-49)75-44)81-42-31(65)27(61)20(54)12(4-48)74-42/h10-44,46-50,52-68H,2-8H2,1H3,(H,45,51)/t10-,11-,12-,13-,14-,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-/m1/s1
C44H75NO361194.05141600
24606113

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C44H75NO36/c1-9(52)45-17-24(59)33(15(7-51)70-38(17)68)77-42-32(67)35(23(58)16(76-42)8-69-39-31(66)34(22(57)14(6-50)71-39)78-40-29(64)25(60)18(53)10(2-46)72-40)79-43-37(28(63)21(56)12(4-48)74-43)81-44-36(27(62)20(55)13(5-49)75-44)80-41-30(65)26(61)19(54)11(3-47)73-41/h10-44,46-51,53-68H,2-8H2,1H3,(H,45,52)/t10-,11-,12-,13-,14-,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-/m1/s1
C44H75NO361194.05141300
24606114

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C44H75NO36/c1-9(51)45-17-24(58)34(14(6-50)71-38(17)68)78-43-33(67)36(80-41-30(64)26(60)19(53)11(3-47)73-41)23(57)16(77-43)7-69-39-32(66)35(79-40-29(63)25(59)18(52)10(2-46)72-40)22(56)15(76-39)8-70-44-37(28(62)21(55)13(5-49)75-44)81-42-31(65)27(61)20(54)12(4-48)74-42/h10-44,46-50,52-68H,2-8H2,1H3,(H,45,51)/t10-,11-,12-,13-,14-,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+/m1/s1
C44H75NO361194.05141600
24606115

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C44H75NO36/c1-9(51)45-17-24(58)34(14(6-50)71-38(17)68)78-43-33(67)36(80-44-37(28(62)21(55)13(5-49)75-44)81-42-31(65)27(61)20(54)12(4-48)74-42)23(57)16(77-43)8-70-40-32(66)35(79-41-30(64)26(60)19(53)11(3-47)73-41)22(56)15(76-40)7-69-39-29(63)25(59)18(52)10(2-46)72-39/h10-44,46-50,52-68H,2-8H2,1H3,(H,45,51)/t10-,11-,12-,13-,14-,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-/m1/s1
C44H75NO361194.05141600
24606116

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C44H75NO36/c1-9(51)45-17-24(58)34(14(6-50)71-38(17)68)78-42-33(67)35(79-44-37(29(63)21(55)13(5-49)75-44)81-41-32(66)26(60)19(53)11(3-47)73-41)23(57)16(77-42)8-69-39-30(64)27(61)22(56)15(76-39)7-70-43-36(28(62)20(54)12(4-48)74-43)80-40-31(65)25(59)18(52)10(2-46)72-40/h10-44,46-50,52-68H,2-8H2,1H3,(H,45,51)/t10-,11-,12-,13-,14-,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-/m1/s1
C44H75NO361194.05141600

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