sodium 5-[(2,4-dinitrophenyl)amino]-2-phenylazanyl-benzenesulfonate

Systemtic Name: sodium 5-[(2,4-dinitrophenyl)amino]-2-phenylazanyl-benzenesulfonate Openeye Name: sodium 2-anilino-5-(2,4-dinitroanilino)benzenesulfonate CAS Name: sodium 2-anilino-5-(2,4-dinitroanilino)benzenesulfonate IUPAC Name: sodium 2-anilino-5-(2,4-dinitroanilino)benzenesulfonate Traditional Name: sodium 2-anilino-5-(2,4-dinitroanilino)besylate Formula: C18H13N4NaO7S MolecularWeight: 452.37319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H14N4O7S.Na/c23-21(24)14-7-9-15(17(11-14)22(25)26)20-13-6-8-16(18(10-13)30(27,28)29)19-12-4-2-1-3-5-12;/h1-11,19-20H,(H,27,28,29);/q;+1/p-1