3-(3,4-dimethoxyphenyl)sulfanyl-7-phenyl-heptanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)sulfanyl-7-phenyl-heptanoic acid Openeye Name: 3-(3,4-dimethoxyphenyl)sulfanyl-7-phenyl-heptanoic acid CAS Name: 3-[(3,4-dimethoxyphenyl)thio]-7-phenylheptanoic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)sulfanyl-7-phenylheptanoic acid Traditional Name: 3-[(3,4-dimethoxyphenyl)thio]-7-phenyl-enanthic acid Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O4S/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/h3-5,8-9,12-14,17H,6-7,10-11,15H2,1-2H3,(H,22,23)