(2-bromanyl-4-methyl-phenyl) 2-nitrobenzenesulfonate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 2-nitrobenzenesulfonate Openeye Name: (2-bromo-4-methyl-phenyl) 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid (2-bromo-4-methyl-phenyl) ester Formula: C13H10BrNO5S MolecularWeight: 372.1912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])Br

InChI

InChI=1S/C13H10BrNO5S/c1-9-6-7-12(10(14)8-9)20-21(18,19)13-5-3-2-4-11(13)15(16)17/h2-8H,1H3