3-cyclopentylsulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-cyclopentylsulfonyl-4-methyl-benzoic acid Openeye Name: 3-cyclopentylsulfonyl-4-methyl-benzoic acid CAS Name: 3-cyclopentylsulfonyl-4-methylbenzoic acid IUPAC Name: 3-cyclopentylsulfonyl-4-methylbenzoic acid Traditional Name: 3-cyclopentylsulfonyl-4-methyl-benzoic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C2CCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C2CCCC2

InChI

InChI=1S/C13H16O4S/c1-9-6-7-10(13(14)15)8-12(9)18(16,17)11-4-2-3-5-11/h6-8,11H,2-5H2,1H3,(H,14,15)