2-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylethanoic acid

Systemtic Name: 2-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylethanoic acid Openeye Name: 2-[3-(2-benzyloxy-3-cyclopentyl-phenyl)-2-hydroxy-propyl]sulfanylacetic acid CAS Name: 2-[[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]thio]acetic acid IUPAC Name: 2-[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]sulfanylacetic acid Traditional Name: 2-[[3-(2-benzoxy-3-cyclopentyl-phenyl)-2-hydroxy-propyl]thio]acetic acid Formula: C23H28O4S MolecularWeight: 400.53102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C(C(=CC=C2)CC(CSCC(=O)O)O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)C2=C(C(=CC=C2)CC(CSCC(=O)O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H28O4S/c24-20(15-28-16-22(25)26)13-19-11-6-12-21(18-9-4-5-10-18)23(19)27-14-17-7-2-1-3-8-17/h1-3,6-8,11-12,18,20,24H,4-5,9-10,13-16H2,(H,25,26)