7,9-dimethyl-2-oxidanyl-3-(phenylmethylsulfanyl)-5,6-dihydrobenzo[h]chromen-4-one

Systemtic Name: 7,9-dimethyl-2-oxidanyl-3-(phenylmethylsulfanyl)-5,6-dihydrobenzo[h]chromen-4-one Openeye Name: 3-benzylsulfanyl-2-hydroxy-7,9-dimethyl-5,6-dihydrobenzo[h]chromen-4-one CAS Name: 2-hydroxy-7,9-dimethyl-3-(phenylmethylthio)-5,6-dihydrobenzo[h][1]benzopyran-4-one IUPAC Name: 3-benzylsulfanyl-2-hydroxy-7,9-dimethyl-5,6-dihydrobenzo[h]chromen-4-one Traditional Name: 3-(benzylthio)-2-hydroxy-7,9-dimethyl-5,6-dihydrobenzo[h]chromen-4-one Formula: C22H20O3S MolecularWeight: 364.4574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2CCC3=C(C2=C1)OC(=C(C3=O)SCC4=CC=CC=C4)O)C

Isomeric SMILES

CC1=CC(=C2CCC3=C(C2=C1)OC(=C(C3=O)SCC4=CC=CC=C4)O)C

InChI

InChI=1S/C22H20O3S/c1-13-10-14(2)16-8-9-17-19(23)21(22(24)25-20(17)18(16)11-13)26-12-15-6-4-3-5-7-15/h3-7,10-11,24H,8-9,12H2,1-2H3