2-[4-(3-cyclopentyl-2-phenylmethoxy-phenyl)-3-oxidanyl-butyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(3-cyclopentyl-2-phenylmethoxy-phenyl)-3-oxidanyl-butyl]sulfanylethanoic acid Openeye Name: 2-[4-(2-benzyloxy-3-cyclopentyl-phenyl)-3-hydroxy-butyl]sulfanylacetic acid CAS Name: 2-[[4-(3-cyclopentyl-2-phenylmethoxyphenyl)-3-hydroxybutyl]thio]acetic acid IUPAC Name: 2-[4-(3-cyclopentyl-2-phenylmethoxyphenyl)-3-hydroxybutyl]sulfanylacetic acid Traditional Name: 2-[[4-(2-benzoxy-3-cyclopentyl-phenyl)-3-hydroxy-butyl]thio]acetic acid Formula: C24H30O4S MolecularWeight: 414.5576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30O4S/c25-21(13-14-29-17-23(26)27)15-20-11-6-12-22(19-9-4-5-10-19)24(20)28-16-18-7-2-1-3-8-18/h1-3,6-8,11-12,19,21,25H,4-5,9-10,13-17H2,(H,26,27)