(3-azaniumylphenyl)-phenyldiazenyl-azanium diethanoate

Systemtic Name: (3-azaniumylphenyl)-phenyldiazenyl-azanium diethanoate Openeye Name: (3-azaniumylphenyl)-phenylazo-ammonium diacetate CAS Name: (3-ammoniophenyl)-phenyldiazenylammonium diacetate IUPAC Name: (3-azaniumylphenyl)-phenyldiazenylazanium diacetate Traditional Name: (3-ammoniophenyl)-phenylazo-ammonium diacetate Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].C1=CC=C(C=C1)N=N[NH2+]C2=CC=CC(=C2)[NH3+]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].C1=CC=C(C=C1)N=N[NH2+]C2=CC=CC(=C2)[NH3+]

InChI

InChI=1S/C12H12N4.2C2H4O2/c13-10-5-4-8-12(9-10)15-16-14-11-6-2-1-3-7-11;2*1-2(3)4/h1-9H,13H2,(H,14,15);2*1H3,(H,3,4)