3-chloranylsulfonyl-5-methyl-benzoic acid

Systemtic Name: 3-chloranylsulfonyl-5-methyl-benzoic acid Openeye Name: 3-chlorosulfonyl-5-methyl-benzoic acid CAS Name: 3-chlorosulfonyl-5-methylbenzoic acid IUPAC Name: 3-chlorosulfonyl-5-methylbenzoic acid Traditional Name: 3-chlorosulfonyl-5-methyl-benzoic acid Formula: C8H7ClO4S MolecularWeight: 234.65678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7ClO4S/c1-5-2-6(8(10)11)4-7(3-5)14(9,12)13/h2-4H,1H3,(H,10,11)