5-(cyclohexylmethylsulfonyl)-2,4-dimethyl-benzoic acid

Systemtic Name: 5-(cyclohexylmethylsulfonyl)-2,4-dimethyl-benzoic acid Openeye Name: 5-(cyclohexylmethylsulfonyl)-2,4-dimethyl-benzoic acid CAS Name: 5-(cyclohexylmethylsulfonyl)-2,4-dimethylbenzoic acid IUPAC Name: 5-(cyclohexylmethylsulfonyl)-2,4-dimethylbenzoic acid Traditional Name: 5-(cyclohexylmethylsulfonyl)-2,4-dimethyl-benzoic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2CCCCC2)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2CCCCC2)C

InChI

InChI=1S/C16H22O4S/c1-11-8-12(2)15(9-14(11)16(17)18)21(19,20)10-13-6-4-3-5-7-13/h8-9,13H,3-7,10H2,1-2H3,(H,17,18)