2-chloranyl-4-methylsulfonyl-3-(3-oxidanylidenecyclohexen-1-yl)benzoic acid

Systemtic Name: 2-chloranyl-4-methylsulfonyl-3-(3-oxidanylidenecyclohexen-1-yl)benzoic acid Openeye Name: 2-chloro-4-methylsulfonyl-3-(3-oxocyclohexen-1-yl)benzoic acid CAS Name: 2-chloro-4-methylsulfonyl-3-(3-oxo-1-cyclohexenyl)benzoic acid IUPAC Name: 2-chloro-4-methylsulfonyl-3-(3-oxocyclohexen-1-yl)benzoic acid Traditional Name: 2-chloro-3-(3-ketocyclohexen-1-yl)-4-mesyl-benzoic acid Formula: C14H13ClO5S MolecularWeight: 328.76802

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)C2=CC(=O)CCC2

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)C2=CC(=O)CCC2

InChI

InChI=1S/C14H13ClO5S/c1-21(19,20)11-6-5-10(14(17)18)13(15)12(11)8-3-2-4-9(16)7-8/h5-7H,2-4H2,1H3,(H,17,18)