4-bromanyl-3-chloranylsulfonyl-5-methyl-benzoic acid

Systemtic Name: 4-bromanyl-3-chloranylsulfonyl-5-methyl-benzoic acid Openeye Name: 4-bromo-3-chlorosulfonyl-5-methyl-benzoic acid CAS Name: 4-bromo-3-chlorosulfonyl-5-methylbenzoic acid IUPAC Name: 4-bromo-3-chlorosulfonyl-5-methylbenzoic acid Traditional Name: 4-bromo-3-chlorosulfonyl-5-methyl-benzoic acid Formula: C8H6BrClO4S MolecularWeight: 313.55284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6BrClO4S/c1-4-2-5(8(11)12)3-6(7(4)9)15(10,13)14/h2-3H,1H3,(H,11,12)