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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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