3-cyclopentylsulfonyl-4,5-dimethyl-benzoic acid

Systemtic Name: 3-cyclopentylsulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-cyclopentylsulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-cyclopentylsulfonyl-4,5-dimethylbenzoic acid IUPAC Name: 3-cyclopentylsulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-cyclopentylsulfonyl-4,5-dimethyl-benzoic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4S/c1-9-7-11(14(15)16)8-13(10(9)2)19(17,18)12-5-3-4-6-12/h7-8,12H,3-6H2,1-2H3,(H,15,16)