5-chloranylsulfonyl-2,3-dimethyl-benzoic acid

Systemtic Name: 5-chloranylsulfonyl-2,3-dimethyl-benzoic acid Openeye Name: 5-chlorosulfonyl-2,3-dimethyl-benzoic acid CAS Name: 5-chlorosulfonyl-2,3-dimethylbenzoic acid IUPAC Name: 5-chlorosulfonyl-2,3-dimethylbenzoic acid Traditional Name: 5-chlorosulfonyl-2,3-dimethyl-benzoic acid Formula: C9H9ClO4S MolecularWeight: 248.68336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9ClO4S/c1-5-3-7(15(10,13)14)4-8(6(5)2)9(11)12/h3-4H,1-2H3,(H,11,12)