2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-phenylsulfanyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-phenylsulfanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(7-methoxychroman-3-yl)-6-phenylsulfanyl-1,4-benzoquinone CAS Name: 2-(7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-6-(phenylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-phenylsulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(7-methoxychroman-3-yl)-6-(phenylthio)-p-benzoquinone Formula: C22H18O4S MolecularWeight: 378.44092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC(CO2)C3=CC(=O)C=C(C3=O)SC4=CC=CC=C4)C=C1

Isomeric SMILES

COC1=CC2=C(CC(CO2)C3=CC(=O)C=C(C3=O)SC4=CC=CC=C4)C=C1

InChI

InChI=1S/C22H18O4S/c1-25-17-8-7-14-9-15(13-26-20(14)12-17)19-10-16(23)11-21(22(19)24)27-18-5-3-2-4-6-18/h2-8,10-12,15H,9,13H2,1H3