2-chloranyl-1-(3-methylphenyl)-2-oxidanylidene-ethanesulfonic acid

Systemtic Name: 2-chloranyl-1-(3-methylphenyl)-2-oxidanylidene-ethanesulfonic acid Openeye Name: 2-chloro-1-(m-tolyl)-2-oxo-ethanesulfonic acid CAS Name: 2-chloro-1-(3-methylphenyl)-2-oxoethanesulfonic acid IUPAC Name: 2-chloro-1-(3-methylphenyl)-2-oxoethanesulfonic acid Traditional Name: 2-chloro-2-keto-1-(m-tolyl)ethanesulfonic acid Formula: C9H9ClO4S MolecularWeight: 248.68336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C(=O)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C(=O)Cl)S(=O)(=O)O

InChI

InChI=1S/C9H9ClO4S/c1-6-3-2-4-7(5-6)8(9(10)11)15(12,13)14/h2-5,8H,1H3,(H,12,13,14)