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 2 results

Search term: YDJYRDOKNBKUDY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24676374

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C30H48O9S/c1-17-9-12-30(24(33)34)14-13-27(4)18(22(30)29(17,6)35)7-8-21-25(2)15-19(31)23(32)26(3,16-39-40(36,37)38)20(25)10-11-28(21,27)5/h7,17,19-23,31-32,35H,8-16H2,1-6H3,(H,33,34)(H,36,37,38)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1
C30H48O9S584.76172200
28286687

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C30H48O9S/c1-17-9-12-30(24(33)34)14-13-27(4)18(22(30)29(17,6)35)7-8-21-25(2)15-19(31)23(32)26(3,16-39-40(36,37)38)20(25)10-11-28(21,27)5/h7,17,19-23,31-32,35H,8-16H2,1-6H3,(H,33,34)(H,36,37,38)/t17-,19-,20?,21?,22?,23+,25+,26+,27-,28-,29-,30+/m1/s1
C30H48O9S584.76171100

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