4-[[azanyl-[bis(azanyl)methylideneazaniumyl]methylidene]amino]benzenesulfonate

Systemtic Name: 4-[[azanyl-[bis(azanyl)methylideneazaniumyl]methylidene]amino]benzenesulfonate Openeye Name: 4-[[amino(diaminomethyleneammonio)methylene]amino]benzenesulfonate CAS Name: 4-[[amino(diaminomethylideneammonio)methylidene]amino]benzenesulfonate IUPAC Name: 4-[[amino(diaminomethylideneazaniumyl)methylidene]amino]benzenesulfonate Traditional Name: 4-[[amino(diaminomethyleneammonio)methylene]amino]besylate Formula: C8H11N5O3S MolecularWeight: 257.26964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C(N)[NH+]=C(N)N)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N=C(N)[NH+]=C(N)N)S(=O)(=O)[O-]

InChI

InChI=1S/C8H11N5O3S/c9-7(10)13-8(11)12-5-1-3-6(4-2-5)17(14,15)16/h1-4H,(H,14,15,16)(H6,9,10,11,12,13)