3-(cyclohexylmethylsulfonyl)benzoic acid

Systemtic Name: 3-(cyclohexylmethylsulfonyl)benzoic acid Openeye Name: 3-(cyclohexylmethylsulfonyl)benzoic acid CAS Name: 3-(cyclohexylmethylsulfonyl)benzoic acid IUPAC Name: 3-(cyclohexylmethylsulfonyl)benzoic acid Traditional Name: 3-(cyclohexylmethylsulfonyl)benzoic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CS(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)CS(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H18O4S/c15-14(16)12-7-4-8-13(9-12)19(17,18)10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H,15,16)