sodium [[4-[(4-nitrophenyl)diazenyl]phenyl]amino]methanesulfonate

Systemtic Name: sodium [[4-[(4-nitrophenyl)diazenyl]phenyl]amino]methanesulfonate Openeye Name: sodium [4-(4-nitrophenyl)azoanilino]methanesulfonate CAS Name: sodium [4-(4-nitrophenyl)azoanilino]methanesulfonate IUPAC Name: sodium [4-[(4-nitrophenyl)diazenyl]anilino]methanesulfonate Traditional Name: sodium [4-(4-nitrophenyl)azoanilino]methanesulfonate Formula: C13H11N4NaO5S MolecularWeight: 358.30501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCS(=O)(=O)[O-])N=NC2=CC=C(C=C2)[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NCS(=O)(=O)[O-])N=NC2=CC=C(C=C2)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C13H12N4O5S.Na/c18-17(19)13-7-5-12(6-8-13)16-15-11-3-1-10(2-4-11)14-9-23(20,21)22;/h1-8,14H,9H2,(H,20,21,22);/q;+1/p-1