3-chloranylsulfonyl-4,5-dimethyl-benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-chlorosulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-chlorosulfonyl-4,5-dimethylbenzoic acid IUPAC Name: 3-chlorosulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-chlorosulfonyl-4,5-dimethyl-benzoic acid Formula: C9H9ClO4S MolecularWeight: 248.68336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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