(3,4-dimethoxyphenyl)sulfanyl (E)-7-phenylhept-2-enoate

Systemtic Name: (3,4-dimethoxyphenyl)sulfanyl (E)-7-phenylhept-2-enoate Openeye Name: (3,4-dimethoxyphenyl)sulfanyl (E)-7-phenylhept-2-enoate CAS Name: (E)-7-phenyl-2-heptenoic acid [(3,4-dimethoxyphenyl)thio] ester IUPAC Name: (3,4-dimethoxyphenyl)sulfanyl (E)-7-phenylhept-2-enoate Traditional Name: (E)-7-phenylhept-2-enoic acid [(3,4-dimethoxyphenyl)thio] ester Formula: C21H24O4S MolecularWeight: 372.47786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SOC(=O)C=CCCCCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SOC(=O)/C=C/CCCCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H24O4S/c1-23-19-15-14-18(16-20(19)24-2)26-25-21(22)13-9-4-3-6-10-17-11-7-5-8-12-17/h5,7-9,11-16H,3-4,6,10H2,1-2H3/b13-9+