(2-chloranyl-4-methyl-phenyl) 4-azanyl-3-nitro-benzenesulfonate

Systemtic Name: (2-chloranyl-4-methyl-phenyl) 4-azanyl-3-nitro-benzenesulfonate Openeye Name: (2-chloro-4-methyl-phenyl) 4-amino-3-nitro-benzenesulfonate CAS Name: 4-amino-3-nitrobenzenesulfonic acid (2-chloro-4-methylphenyl) ester IUPAC Name: (2-chloro-4-methylphenyl) 4-amino-3-nitrobenzenesulfonate Traditional Name: 4-amino-3-nitro-benzenesulfonic acid (2-chloro-4-methyl-phenyl) ester Formula: C13H11ClN2O5S MolecularWeight: 342.75484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O5S/c1-8-2-5-13(10(14)6-8)21-22(19,20)9-3-4-11(15)12(7-9)16(17)18/h2-7H,15H2,1H3