2-[3-(carboxymethylsulfanyl)-3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propoxy]ethanoic acid

Systemtic Name: 2-[3-(carboxymethylsulfanyl)-3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propoxy]ethanoic acid Openeye Name: 2-[3-(2-benzyloxy-3-cyclopentyl-phenyl)-3-(carboxymethylsulfanyl)-2-hydroxy-propoxy]acetic acid CAS Name: 2-[3-(carboxymethylthio)-3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxypropoxy]acetic acid IUPAC Name: 2-[3-(carboxymethylsulfanyl)-3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxypropoxy]acetic acid Traditional Name: 2-[3-(2-benzoxy-3-cyclopentyl-phenyl)-3-(carboxymethylthio)-2-hydroxy-propoxy]acetic acid Formula: C25H30O7S MolecularWeight: 474.5665

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C(C(=CC=C2)C(C(COCC(=O)O)O)SCC(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)C2=C(C(=CC=C2)C(C(COCC(=O)O)O)SCC(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30O7S/c26-21(14-31-15-22(27)28)25(33-16-23(29)30)20-12-6-11-19(18-9-4-5-10-18)24(20)32-13-17-7-2-1-3-8-17/h1-3,6-8,11-12,18,21,25-26H,4-5,9-10,13-16H2,(H,27,28)(H,29,30)