4-[(4-chlorophenyl)amino]-3-nitro-benzenesulfonic acid

Systemtic Name: 4-[(4-chlorophenyl)amino]-3-nitro-benzenesulfonic acid Openeye Name: 4-(4-chloroanilino)-3-nitro-benzenesulfonic acid CAS Name: 4-(4-chloroanilino)-3-nitrobenzenesulfonic acid IUPAC Name: 4-(4-chloroanilino)-3-nitrobenzenesulfonic acid Traditional Name: 4-(4-chloroanilino)-3-nitro-besylic acid Formula: C12H9ClN2O5S MolecularWeight: 328.72826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-])Cl

InChI

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