(E)-3-[4-methylsulfanyl-3,4-bis(oxidanyl)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-[4-methylsulfanyl-3,4-bis(oxidanyl)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3,4-dihydroxy-4-methylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3,4-dihydroxy-4-(methylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3,4-dihydroxy-4-methylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3,4-dihydroxy-4-(methylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C16H16O3S MolecularWeight: 288.36144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1(C=CC(C=C1O)C=CC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CSC1(C=CC(C=C1O)/C=C/C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C16H16O3S/c1-20-16(19)10-9-12(11-15(16)18)7-8-14(17)13-5-3-2-4-6-13/h2-12,18-19H,1H3/b8-7+