(3-bromophenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (3-bromophenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (3-bromophenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (3-bromophenyl) ester Formula: C13H10BrNO5S MolecularWeight: 372.1912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC(=CC=C2)Br

InChI

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