4-[bis(azanyl)methylideneamino]benzoate; cyclohexatriene; phosphate

Systemtic Name: 4-[bis(azanyl)methylideneamino]benzoate; cyclohexatriene; phosphate Openeye Name: cyclohexatriene; 4-guanidinobenzoate; phosphate CAS Name: cyclohexatriene; 4-(diaminomethylideneamino)benzoate; phosphate IUPAC Name: cyclohexatriene; 4-(diaminomethylideneamino)benzoate; phosphate Traditional Name: cyclohexatriene; 4-guanidinobenzoate; phosphate Formula: C14H13N3O6P-4 MolecularWeight: 350.243281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[C]C=C1.C1=CC(=CC=C1C(=O)[O-])N=C(N)N.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=[C]C=C1.C1=CC(=CC=C1C(=O)[O-])N=C(N)N.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C8H9N3O2.C6H5.H3O4P/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;1-2-4-6-5-3-1;1-5(2,3)4/h1-4H,(H,12,13)(H4,9,10,11);1-5H;(H3,1,2,3,4)/p-4