4-[(4-azanyl-2-chloranyl-phenyl)amino]-3,5-dinitro-benzenesulfonic acid

Systemtic Name: 4-[(4-azanyl-2-chloranyl-phenyl)amino]-3,5-dinitro-benzenesulfonic acid Openeye Name: 4-(4-amino-2-chloro-anilino)-3,5-dinitro-benzenesulfonic acid CAS Name: 4-(4-amino-2-chloroanilino)-3,5-dinitrobenzenesulfonic acid IUPAC Name: 4-(4-amino-2-chloroanilino)-3,5-dinitrobenzenesulfonic acid Traditional Name: 4-(4-amino-2-chloro-anilino)-3,5-dinitro-besylic acid Formula: C12H9ClN4O7S MolecularWeight: 388.74046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)Cl)NC2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N)Cl)NC2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H9ClN4O7S/c13-8-3-6(14)1-2-9(8)15-12-10(16(18)19)4-7(25(22,23)24)5-11(12)17(20)21/h1-5,15H,14H2,(H,22,23,24)