4-bromanyl-5-chloranylsulfonyl-2-methyl-benzoic acid

Systemtic Name: 4-bromanyl-5-chloranylsulfonyl-2-methyl-benzoic acid Openeye Name: 4-bromo-5-chlorosulfonyl-2-methyl-benzoic acid CAS Name: 4-bromo-5-chlorosulfonyl-2-methylbenzoic acid IUPAC Name: 4-bromo-5-chlorosulfonyl-2-methylbenzoic acid Traditional Name: 4-bromo-5-chlorosulfonyl-2-methyl-benzoic acid Formula: C8H6BrClO4S MolecularWeight: 313.55284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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