sodium 4-[phenyl-[(2,4,6-trinitrophenyl)amino]amino]benzenesulfonate

Systemtic Name: sodium 4-[phenyl-[(2,4,6-trinitrophenyl)amino]amino]benzenesulfonate Openeye Name: sodium 4-(N-(2,4,6-trinitroanilino)anilino)benzenesulfonate CAS Name: sodium 4-(N-(2,4,6-trinitroanilino)anilino)benzenesulfonate IUPAC Name: sodium 4-(N-(2,4,6-trinitroanilino)anilino)benzenesulfonate Traditional Name: sodium 4-(N-(2,4,6-trinitroanilino)anilino)besylate Formula: C18H12N5NaO9S MolecularWeight: 497.37075

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=C(C=C2)S(=O)(=O)[O-])NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=C(C=C2)S(=O)(=O)[O-])NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C18H13N5O9S.Na/c24-21(25)14-10-16(22(26)27)18(17(11-14)23(28)29)19-20(12-4-2-1-3-5-12)13-6-8-15(9-7-13)33(30,31)32;/h1-11,19H,(H,30,31,32);/q;+1/p-1