3-[2-(2-fluoranyl-5-methylsulfanyl-4-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid

Systemtic Name: 3-[2-(2-fluoranyl-5-methylsulfanyl-4-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid Openeye Name: 3-[2-(4-benzyloxy-2-fluoro-5-methylsulfanyl-phenyl)cyclopenten-1-yl]benzoic acid CAS Name: 3-[2-[2-fluoro-5-(methylthio)-4-phenylmethoxyphenyl]-1-cyclopentenyl]benzoic acid IUPAC Name: 3-[2-(2-fluoro-5-methylsulfanyl-4-phenylmethoxyphenyl)cyclopenten-1-yl]benzoic acid Traditional Name: 3-[2-[4-benzoxy-2-fluoro-5-(methylthio)phenyl]cyclopenten-1-yl]benzoic acid Formula: C26H23FO3S MolecularWeight: 434.522423

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C(=C1)C2=C(CCC2)C3=CC(=CC=C3)C(=O)O)F)OCC4=CC=CC=C4

Isomeric SMILES

CSC1=C(C=C(C(=C1)C2=C(CCC2)C3=CC(=CC=C3)C(=O)O)F)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23FO3S/c1-31-25-14-22(23(27)15-24(25)30-16-17-7-3-2-4-8-17)21-12-6-11-20(21)18-9-5-10-19(13-18)26(28)29/h2-5,7-10,13-15H,6,11-12,16H2,1H3,(H,28,29)