(E)-3-(3,4-dimethoxyphenyl)sulfanyl-7-phenyl-hept-2-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC(=CC(=O)O)CCCCC2=CC=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24O4S/c1-24-19-13-12-18(14-20(19)25-2)26-17(15-21(22)23)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3,(H,22,23)/b17-15+