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 7 results

Search term: MWDOAJPNPCZJEI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65047917

Double-bond stereo

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C36H58O9/c1-20(9-8-14-31(2,3)42)21-12-15-34(7)23-13-16-36-24(35(23,30(41)45-36)18-17-33(21,34)6)10-11-25(32(36,4)5)44-29-28(40)27(39)26(38)22(19-37)43-29/h8,13-14,16,20-30,37-42H,9-12,15,17-19H2,1-7H3/b14-8+/t20-,21-,22-,23+,24+,25+,26-,27+,28-,29+,30?,33-,34+,35+,36-/m1/s1
C36H58O9634.84036500
114576834

Double-bond stereo

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C36H58O9/c1-20(9-8-14-31(2,3)42)21-12-15-34(7)23-13-16-36-24(35(23,30(41)45-36)18-17-33(21,34)6)10-11-25(32(36,4)5)44-29-28(40)27(39)26(38)22(19-37)43-29/h8,13-14,16,20-30,37-42H,9-12,15,17-19H2,1-7H3/b14-8+
C36H58O9634.84034500
115276002

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C36H58O9/c1-20(9-8-14-31(2,3)42)21-12-15-34(7)23-13-16-36-24(35(23,30(41)45-36)18-17-33(21,34)6)10-11-25(32(36,4)5)44-29-28(40)27(39)26(38)22(19-37)43-29/h8,13-14,16,20-30,37-42H,9-12,15,17-19H2,1-7H3/b14-8+/t20-,21-,22-,23+,24+,25+,26-,27-,28-,29+,30-,33-,34+,35+,36-/m1/s1
C36H58O9634.84033300
73988154

Double-bond stereo

8 of 15 defined stereocentres - 8/15 defined
InChI=1/C36H58O9/c1-20(9-8-14-31(2,3)42)21-12-15-34(7)23-13-16-36-24(35(23,30(41)45-36)18-17-33(21,34)6)10-11-25(32(36,4)5)44-29-28(40)27(39)26(38)22(19-37)43-29/h8,13-14,16,20-30,37-42H,9-12,15,17-19H2,1-7H3/b14-8+/t20-,21?,22-,23?,24?,25+,26-,27-,28-,29?,30?,33-,34+,35?,36?/m1/s1
C36H58O9634.84032300
82965061

Double-bond stereo

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C36H58O9/c1-20(9-8-14-31(2,3)42)21-12-15-34(7)23-13-16-36-24(35(23,30(41)45-36)18-17-33(21,34)6)10-11-25(32(36,4)5)44-29-28(40)27(39)26(38)22(19-37)43-29/h8,13-14,16,20-30,37-42H,9-12,15,17-19H2,1-7H3/b14-8+/t20-,21-,22-,23+,24+,25+,26-,27+,28-,29+,30?,33-,34+,35+,36-/m0/s1
C36H58O9634.84031200
113609699

Double-bond stereo

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C36H58O9/c1-20(9-8-14-31(2,3)42)21-12-15-34(7)23-13-16-36-24(35(23,30(41)45-36)18-17-33(21,34)6)10-11-25(32(36,4)5)44-29-28(40)27(39)26(38)22(19-37)43-29/h8,13-14,16,20-30,37-42H,9-12,15,17-19H2,1-7H3/b14-8+/t20-,21-,22-,23+,24-,25+,26-,27+,28+,29-,30?,33+,34+,35+,36-/m1/s1
C36H58O9634.84031100

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