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

Systemtic Name: (4-azanyl-3-nitro-phenyl) 4-chloranylbenzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 4-chlorobenzenesulfonate Traditional Name: 4-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(=CC=C1S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-])Cl

InChI

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