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

Systemtic Name: 3-[2-(2-methoxy-5-methylsulfonyl-phenyl)cyclopenten-1-yl]benzoic acid Openeye Name: 3-[2-(2-methoxy-5-methylsulfonyl-phenyl)cyclopenten-1-yl]benzoic acid CAS Name: 3-[2-(2-methoxy-5-methylsulfonylphenyl)-1-cyclopentenyl]benzoic acid IUPAC Name: 3-[2-(2-methoxy-5-methylsulfonylphenyl)cyclopenten-1-yl]benzoic acid Traditional Name: 3-[2-(5-mesyl-2-methoxy-phenyl)cyclopenten-1-yl]benzoic acid Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C)C2=C(CCC2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C)C2=C(CCC2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C20H20O5S/c1-25-19-10-9-15(26(2,23)24)12-18(19)17-8-4-7-16(17)13-5-3-6-14(11-13)20(21)22/h3,5-6,9-12H,4,7-8H2,1-2H3,(H,21,22)