4-(3,4-dimethoxyphenyl)sulfanyl-4-phenyl-butanoic acid

Systemtic Name: 4-(3,4-dimethoxyphenyl)sulfanyl-4-phenyl-butanoic acid Openeye Name: 4-(3,4-dimethoxyphenyl)sulfanyl-4-phenyl-butanoic acid CAS Name: 4-[(3,4-dimethoxyphenyl)thio]-4-phenylbutanoic acid IUPAC Name: 4-(3,4-dimethoxyphenyl)sulfanyl-4-phenylbutanoic acid Traditional Name: 4-[(3,4-dimethoxyphenyl)thio]-4-phenyl-butyric acid Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O4S/c1-21-15-9-8-14(12-16(15)22-2)23-17(10-11-18(19)20)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3,(H,19,20)