4-[azanyl-[bis(azanyl)methylideneazaniumyl]methylidene]azaniumylbenzenesulfonate

Systemtic Name: 4-[azanyl-[bis(azanyl)methylideneazaniumyl]methylidene]azaniumylbenzenesulfonate Openeye Name: 4-[amino(diaminomethyleneammonio)methylene]ammoniobenzenesulfonate CAS Name: 4-[amino(diaminomethylideneammonio)methylidene]ammoniobenzenesulfonate IUPAC Name: 4-[amino(diaminomethylideneazaniumyl)methylidene]azaniumylbenzenesulfonate Traditional Name: 4-[amino(diaminomethyleneammonio)methylene]ammoniobesylate Formula: C8H12N5O3S+ MolecularWeight: 258.27758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1[NH+]=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)/p+1