5-(cyclohexylmethylsulfonyl)-2-methyl-benzoic acid

Systemtic Name: 5-(cyclohexylmethylsulfonyl)-2-methyl-benzoic acid Openeye Name: 5-(cyclohexylmethylsulfonyl)-2-methyl-benzoic acid CAS Name: 5-(cyclohexylmethylsulfonyl)-2-methylbenzoic acid IUPAC Name: 5-(cyclohexylmethylsulfonyl)-2-methylbenzoic acid Traditional Name: 5-(cyclohexylmethylsulfonyl)-2-methyl-benzoic acid Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CC2CCCCC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CC2CCCCC2)C(=O)O

InChI

InChI=1S/C15H20O4S/c1-11-7-8-13(9-14(11)15(16)17)20(18,19)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,16,17)