2-chloranyl-3-(cyclohexyloxymethyl)-4-methylsulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-3-(cyclohexyloxymethyl)-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-(cyclohexoxymethyl)-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-(cyclohexyloxymethyl)-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-(cyclohexyloxymethyl)-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-3-(cyclohexoxymethyl)-4-mesyl-benzoic acid Formula: C15H19ClO5S MolecularWeight: 346.82636

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)COC2CCCCC2

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)COC2CCCCC2

InChI

InChI=1S/C15H19ClO5S/c1-22(19,20)13-8-7-11(15(17)18)14(16)12(13)9-21-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,17,18)