1-[1-(3,4-dimethoxyphenyl)sulfanyl-5-phenyl-pentyl]cyclopentane-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC(CCCCC2=CC=CC=C2)C3(CCCC3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SC(CCCCC2=CC=CC=C2)C3(CCCC3)C(=O)O)OC

InChI

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