3-[2-(5-methylsulfanyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid

Systemtic Name: 3-[2-(5-methylsulfanyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-methylsulfanyl-phenyl)cyclopenten-1-yl]benzoic acid CAS Name: 3-[2-[5-(methylthio)-2-phenylmethoxyphenyl]-1-cyclopentenyl]benzoic acid IUPAC Name: 3-[2-(5-methylsulfanyl-2-phenylmethoxyphenyl)cyclopenten-1-yl]benzoic acid Traditional Name: 3-[2-[2-benzoxy-5-(methylthio)phenyl]cyclopenten-1-yl]benzoic acid Formula: C26H24O3S MolecularWeight: 416.53196

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(CCC3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(CCC3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C26H24O3S/c1-30-21-13-14-25(29-17-18-7-3-2-4-8-18)24(16-21)23-12-6-11-22(23)19-9-5-10-20(15-19)26(27)28/h2-5,7-10,13-16H,6,11-12,17H2,1H3,(H,27,28)