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: WSRKHGCYKYRYJY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7779840

Double-bond stereo
InChI=1/C28H31N3O9/c1-5-38-27(35)18-7-9-19(10-8-18)30-25(33)24(32)29-16-21-12-11-20(40-21)15-22-23(28(36)39-6-2)17(3)31(26(22)34)13-14-37-4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,29,32)(H,30,33)/b22-15+
C28H31N3O9553.560412900
20182536

Double-bond stereo
InChI=1/C28H31N3O9/c1-5-38-27(35)18-7-9-19(10-8-18)30-25(33)24(32)29-16-21-12-11-20(40-21)15-22-23(28(36)39-6-2)17(3)31(26(22)34)13-14-37-4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,29,32)(H,30,33)/b22-15-
C28H31N3O9553.5604111100
2570433

Double-bond stereo
InChI=1/C28H31N3O9/c1-5-38-27(35)18-7-9-19(10-8-18)30-25(33)24(32)29-16-21-12-11-20(40-21)15-22-23(28(36)39-6-2)17(3)31(26(22)34)13-14-37-4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,29,32)(H,30,33)
C28H31N3O9553.56044200

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