methyl (E)-7-oxidanyl-2-phenyl-4-phenylsulfanyl-hept-3-enoate

Systemtic Name: methyl (E)-7-oxidanyl-2-phenyl-4-phenylsulfanyl-hept-3-enoate Openeye Name: methyl (E)-7-hydroxy-2-phenyl-4-phenylsulfanyl-hept-3-enoate CAS Name: (E)-7-hydroxy-2-phenyl-4-(phenylthio)-3-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-hydroxy-2-phenyl-4-phenylsulfanylhept-3-enoate Traditional Name: (E)-7-hydroxy-2-phenyl-4-(phenylthio)hept-3-enoic acid methyl ester Formula: C20H22O3S MolecularWeight: 342.45188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C=C(CCCO)SC1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(/C=C(\CCCO)/SC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C20H22O3S/c1-23-20(22)19(16-9-4-2-5-10-16)15-18(13-8-14-21)24-17-11-6-3-7-12-17/h2-7,9-12,15,19,21H,8,13-14H2,1H3/b18-15+