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

Systemtic Name: (E)-2-(3,4-dimethoxyphenyl)sulfanyl-7-phenyl-hept-2-enoic acid Openeye Name: (E)-2-(3,4-dimethoxyphenyl)sulfanyl-7-phenyl-hept-2-enoic acid CAS Name: (E)-2-[(3,4-dimethoxyphenyl)thio]-7-phenyl-2-heptenoic acid IUPAC Name: (E)-2-(3,4-dimethoxyphenyl)sulfanyl-7-phenylhept-2-enoic acid Traditional Name: (E)-2-[(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(=CCCCCC2=CC=CC=C2)C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24O4S/c1-24-18-14-13-17(15-19(18)25-2)26-20(21(22)23)12-8-4-7-11-16-9-5-3-6-10-16/h3,5-6,9-10,12-15H,4,7-8,11H2,1-2H3,(H,22,23)/b20-12+