methyl 4-bromanyl-5-chloranylsulfonyl-2-methyl-benzoate

Systemtic Name: methyl 4-bromanyl-5-chloranylsulfonyl-2-methyl-benzoate Openeye Name: methyl 4-bromo-5-chlorosulfonyl-2-methyl-benzoate CAS Name: 4-bromo-5-chlorosulfonyl-2-methylbenzoic acid methyl ester IUPAC Name: methyl 4-bromo-5-chlorosulfonyl-2-methylbenzoate Traditional Name: 4-bromo-5-chlorosulfonyl-2-methyl-benzoic acid methyl ester Formula: C9H8BrClO4S MolecularWeight: 327.57942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8BrClO4S/c1-5-3-7(10)8(16(11,13)14)4-6(5)9(12)15-2/h3-4H,1-2H3