(6E)-2-methoxy-6-(3-oxidanyl-1-sulfanyl-propylidene)-4-prop-2-enyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-2-methoxy-6-(3-oxidanyl-1-sulfanyl-propylidene)-4-prop-2-enyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-4-allyl-6-(3-hydroxy-1-sulfanyl-propylidene)-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-(3-hydroxy-1-mercaptopropylidene)-2-methoxy-4-prop-2-enyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(3-hydroxy-1-sulfanylpropylidene)-2-methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-allyl-6-(3-hydroxy-1-mercapto-propylidene)-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C(CCO)S)C1=O)CC=C

Isomeric SMILES

COC1=CC(=C/C(=C(/CCO)\S)/C1=O)CC=C

InChI

InChI=1S/C13H16O3S/c1-3-4-9-7-10(12(17)5-6-14)13(15)11(8-9)16-2/h3,7-8,14,17H,1,4-6H2,2H3/b12-10+