5-chloranylsulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-chloranylsulfonyl-2-methyl-benzoic acid Openeye Name: 5-chlorosulfonyl-2-methyl-benzoic acid CAS Name: 5-chlorosulfonyl-2-methylbenzoic acid IUPAC Name: 5-chlorosulfonyl-2-methylbenzoic acid Traditional Name: 5-chlorosulfonyl-2-methyl-benzoic acid Formula: C8H7ClO4S MolecularWeight: 234.65678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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