(2-methylphenyl) 4-azanyl-3-nitro-benzenesulfonate

Systemtic Name: (2-methylphenyl) 4-azanyl-3-nitro-benzenesulfonate Openeye Name: o-tolyl 4-amino-3-nitro-benzenesulfonate CAS Name: 4-amino-3-nitrobenzenesulfonic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 4-amino-3-nitrobenzenesulfonate Traditional Name: 4-amino-3-nitro-benzenesulfonic acid o-tolyl ester Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O5S/c1-9-4-2-3-5-13(9)20-21(18,19)10-6-7-11(14)12(8-10)15(16)17/h2-8H,14H2,1H3