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

Systemtic Name: 3-[2-(5-methylsulfonyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-methylsulfonyl-phenyl)cyclopenten-1-yl]benzoic acid CAS Name: 3-[2-(5-methylsulfonyl-2-phenylmethoxyphenyl)-1-cyclopentenyl]benzoic acid IUPAC Name: 3-[2-(5-methylsulfonyl-2-phenylmethoxyphenyl)cyclopenten-1-yl]benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-mesyl-phenyl)cyclopenten-1-yl]benzoic acid Formula: C26H24O5S MolecularWeight: 448.53076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24O5S/c1-32(29,30)21-13-14-25(31-17-18-7-3-2-4-8-18)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)