3-(3,4-dimethoxyphenyl)sulfanyl-5-phenyl-pentanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)sulfanyl-5-phenyl-pentanoic acid Openeye Name: 3-(3,4-dimethoxyphenyl)sulfanyl-5-phenyl-pentanoic acid CAS Name: 3-[(3,4-dimethoxyphenyl)thio]-5-phenylpentanoic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)sulfanyl-5-phenylpentanoic acid Traditional Name: 3-[(3,4-dimethoxyphenyl)thio]-5-phenyl-valeric acid Formula: C19H22O4S MolecularWeight: 346.44058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC(CCC2=CC=CC=C2)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SC(CCC2=CC=CC=C2)CC(=O)O)OC

InChI

InChI=1S/C19H22O4S/c1-22-17-11-10-15(12-18(17)23-2)24-16(13-19(20)21)9-8-14-6-4-3-5-7-14/h3-7,10-12,16H,8-9,13H2,1-2H3,(H,20,21)