5-chloranylsulfonyl-2,4-dimethyl-benzoic acid

Systemtic Name: 5-chloranylsulfonyl-2,4-dimethyl-benzoic acid Openeye Name: 5-chlorosulfonyl-2,4-dimethyl-benzoic acid CAS Name: 5-chlorosulfonyl-2,4-dimethylbenzoic acid IUPAC Name: 5-chlorosulfonyl-2,4-dimethylbenzoic acid Traditional Name: 5-chlorosulfonyl-2,4-dimethyl-benzoic acid Formula: C9H9ClO4S MolecularWeight: 248.68336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)C

InChI

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