(4-azanyl-3-nitro-phenyl) 2-chloranylbenzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 2-chloranylbenzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C12H9ClN2O5S MolecularWeight: 328.72826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O5S/c13-9-3-1-2-4-12(9)21(18,19)20-8-5-6-10(14)11(7-8)15(16)17/h1-7H,14H2