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 3 results

Search term: WBNNIURTBZHJTI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65063

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H29O8P.C13H18N2O/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);3-6,10H,7-9H2,1-2H3,(H,14,15)/t14-,15-,16-,18+,19-,20-,21-;/m0./s1
C34H47N2O9P658.7187111300
8659864

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C21H29O8P.C13H18N2O/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);3-6,10H,7-9H2,1-2H3,(H,14,15)/t14?,15?,16-,18?,19-,20-,21-;/m0./s1
C34H47N2O9P658.71871100
58818023

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H29O8P.C13H18N2O/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);3-6,10H,7-9H2,1-2H3,(H,14,15)/t14-,15-,16-,18+,19-,20?,21-;/m0./s1
C34H47N2O9P658.71871100

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