(3-bromophenyl) 2,3-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: (3-bromophenyl) 2,3-dimethyl-5-nitro-benzenesulfonate Openeye Name: (3-bromophenyl) 2,3-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 2,3-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid (3-bromophenyl) ester Formula: C14H12BrNO5S MolecularWeight: 386.21778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC(=CC=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC(=CC=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H12BrNO5S/c1-9-6-12(16(17)18)8-14(10(9)2)22(19,20)21-13-5-3-4-11(15)7-13/h3-8H,1-2H3