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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: NAUZBQMEOYSERD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
434580

0 of 24 defined stereocentres - 0/24 defined
InChI=1/C45H74O17/c1-39(2)26(60-38-33(30(52)23(49)18-58-38)61-37-32(54)29(51)22(48)17-57-37)9-11-45-19-44(45)13-12-41(5)34(43(7)10-8-27(62-43)40(3,4)55)20(46)15-42(41,6)25(44)14-24(35(39)45)59-36-31(53)28(50)21(47)16-56-36/h20-38,46-55H,8-19H2,1-7H3
C45H74O17887.05894300
10259287

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C45H74O17/c1-39(2)26(60-38-33(30(52)23(49)18-58-38)61-37-32(54)29(51)22(48)17-57-37)9-11-45-19-44(45)13-12-41(5)34(43(7)10-8-27(62-43)40(3,4)55)20(46)15-42(41,6)25(44)14-24(35(39)45)59-36-31(53)28(50)21(47)16-56-36/h20-38,46-55H,8-19H2,1-7H3/t20-,21+,22-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38-,41+,42-,43+,44-,45+/m0/s1
C45H74O17887.05894300
17467190

11 of 24 defined stereocentres - 11/24 defined
InChI=1/C45H74O17/c1-39(2)26(60-38-33(30(52)23(49)18-58-38)61-37-32(54)29(51)22(48)17-57-37)9-11-45-19-44(45)13-12-41(5)34(43(7)10-8-27(62-43)40(3,4)55)20(46)15-42(41,6)25(44)14-24(35(39)45)59-36-31(53)28(50)21(47)16-56-36/h20-38,46-55H,8-19H2,1-7H3/t20-,21?,22?,23?,24-,25-,26-,27-,28?,29?,30?,31?,32?,33?,34-,35?,36?,37?,38?,41+,42-,43+,44-,45+/m0/s1
C45H74O17887.05893100
21781482

3 of 24 defined stereocentres - 3/24 defined
InChI=1/C45H74O17/c1-39(2)26(60-38-33(30(52)23(49)18-58-38)61-37-32(54)29(51)22(48)17-57-37)9-11-45-19-44(45)13-12-41(5)34(43(7)10-8-27(62-43)40(3,4)55)20(46)15-42(41,6)25(44)14-24(35(39)45)59-36-31(53)28(50)21(47)16-56-36/h20-38,46-55H,8-19H2,1-7H3/t20?,21?,22?,23?,24-,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,41?,42-,43+,44?,45?/m0/s1
C45H74O17887.05893300
345806

10 of 24 defined stereocentres - 10/24 defined
InChI=1/C45H74O17/c1-39(2)26(60-38-33(30(52)23(49)18-58-38)61-37-32(54)29(51)22(48)17-57-37)9-11-45-19-44(45)13-12-41(5)34(43(7)10-8-27(62-43)40(3,4)55)20(46)15-42(41,6)25(44)14-24(35(39)45)59-36-31(53)28(50)21(47)16-56-36/h20-38,46-55H,8-19H2,1-7H3/t20-,21?,22?,23?,24-,25?,26-,27-,28?,29?,30?,31?,32?,33?,34?,35-,36?,37?,38?,41+,42-,43+,44-,45+/m0/s1
C45H74O17887.05893200
58132140

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C45H74O17/c1-39(2)26(60-38-33(30(52)23(49)18-58-38)61-37-32(54)29(51)22(48)17-57-37)9-11-45-19-44(45)13-12-41(5)34(43(7)10-8-27(62-43)40(3,4)55)20(46)15-42(41,6)25(44)14-24(35(39)45)59-36-31(53)28(50)21(47)16-56-36/h20-38,46-55H,8-19H2,1-7H3/t20-,21+,22+,23+,24-,25-,26-,27-,28-,29+,30-,31+,32-,33+,34-,35-,36-,37-,38-,41+,42-,43+,44-,45+/m0/s1
C45H74O17887.05892200

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