Matches any text strings used to describe a molecule.
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: IVYRDMWWABSYSI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
114268

14 of 18 defined stereocentres - 14/18 defined
InChI=1/C40H66O12/c1-19(2)15-22(43)16-20(3)24-9-10-26-23-7-8-25-21(4)28(12-14-40(25,6)27(23)11-13-39(24,26)5)49-38-36(34(47)32(45)30(18-42)51-38)52-37-35(48)33(46)31(44)29(17-41)50-37/h10,19-22,24-25,28-38,41-48H,7-9,11-18H2,1-6H3/t20-,21?,22?,24-,25?,28?,29-,30+,31+,32-,33+,34+,35-,36-,37+,38-,39-,40+/m1/s1
C40H66O12738.94482100
9608993

17 of 18 defined stereocentres - 17/18 defined
InChI=1/C40H66O12/c1-19(2)15-22(43)16-20(3)24-9-10-26-23-7-8-25-21(4)28(12-14-40(25,6)27(23)11-13-39(24,26)5)49-38-36(34(47)32(45)30(18-42)51-38)52-37-35(48)33(46)31(44)29(17-41)50-37/h10,19-22,24-25,28-38,41-48H,7-9,11-18H2,1-6H3/t20-,21+,22?,24-,25+,28+,29-,30-,31+,32+,33+,34+,35-,36-,37+,38-,39-,40+/m1/s1
C40H66O12738.94482100
17208876

7 of 18 defined stereocentres - 7/18 defined
InChI=1/C40H66O12/c1-19(2)15-22(43)16-20(3)24-9-10-26-23-7-8-25-21(4)28(12-14-40(25,6)27(23)11-13-39(24,26)5)49-38-36(34(47)32(45)30(18-42)51-38)52-37-35(48)33(46)31(44)29(17-41)50-37/h10,19-22,24-25,28-38,41-48H,7-9,11-18H2,1-6H3/t20-,21+,22?,24-,25+,28+,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39-,40+/m1/s1
C40H66O12738.94482200
27022979

14 of 18 defined stereocentres - 14/18 defined
InChI=1/C40H66O12/c1-19(2)15-22(43)16-20(3)24-9-10-26-23-7-8-25-21(4)28(12-14-40(25,6)27(23)11-13-39(24,26)5)49-38-36(34(47)32(45)30(18-42)51-38)52-37-35(48)33(46)31(44)29(17-41)50-37/h10,19-22,24-25,28-38,41-48H,7-9,11-18H2,1-6H3/t20-,21+,22+,24-,25+,28+,29+,30+,31+,32+,33?,34?,35?,36?,37+,38-,39-,40+/m1/s1
C40H66O12738.94482200
19982108

14 of 18 defined stereocentres - 14/18 defined
InChI=1/C40H66O12/c1-19(2)15-22(43)16-20(3)24-9-10-26-23-7-8-25-21(4)28(12-14-40(25,6)27(23)11-13-39(24,26)5)49-38-36(34(47)32(45)30(18-42)51-38)52-37-35(48)33(46)31(44)29(17-41)50-37/h10,19-22,24-25,28-38,41-48H,7-9,11-18H2,1-6H3/t20-,21?,22?,24-,25?,28?,29-,30-,31+,32+,33+,34+,35-,36-,37+,38-,39-,40+/m1/s1
C40H66O12738.94481100

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