3-(cyclohexylmethylsulfonyl)-4-ethyl-benzoic acid

Systemtic Name: 3-(cyclohexylmethylsulfonyl)-4-ethyl-benzoic acid Openeye Name: 3-(cyclohexylmethylsulfonyl)-4-ethyl-benzoic acid CAS Name: 3-(cyclohexylmethylsulfonyl)-4-ethylbenzoic acid IUPAC Name: 3-(cyclohexylmethylsulfonyl)-4-ethylbenzoic acid Traditional Name: 3-(cyclohexylmethylsulfonyl)-4-ethyl-benzoic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2CCCCC2

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2CCCCC2

InChI

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