1-(3,4-dimethoxyphenyl)sulfanyl-2-(5-phenylpentyl)cyclopentane-1-carboxylic acid

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfanyl-2-(5-phenylpentyl)cyclopentane-1-carboxylic acid Openeye Name: 1-(3,4-dimethoxyphenyl)sulfanyl-2-(5-phenylpentyl)cyclopentanecarboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)thio]-2-(5-phenylpentyl)-1-cyclopentanecarboxylic acid IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfanyl-2-(5-phenylpentyl)cyclopentane-1-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)thio]-2-(5-phenylpentyl)cyclopentanecarboxylic acid Formula: C25H32O4S MolecularWeight: 428.58418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC2(CCCC2CCCCCC3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SC2(CCCC2CCCCCC3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C25H32O4S/c1-28-22-16-15-21(18-23(22)29-2)30-25(24(26)27)17-9-14-20(25)13-8-4-7-12-19-10-5-3-6-11-19/h3,5-6,10-11,15-16,18,20H,4,7-9,12-14,17H2,1-2H3,(H,26,27)