4-[bis(azanyl)methylideneamino]benzoate; methanesulfonate

Systemtic Name: 4-[bis(azanyl)methylideneamino]benzoate; methanesulfonate Openeye Name: 4-guanidinobenzoate; methanesulfonate CAS Name: 4-(diaminomethylideneamino)benzoate; methanesulfonate IUPAC Name: 4-(diaminomethylideneamino)benzoate; methanesulfonate Traditional Name: 4-guanidinobenzoate mesylate Formula: C9H11N3O5S-2 MolecularWeight: 273.26574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N3O2.CH4O3S/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;1-5(2,3)4/h1-4H,(H,12,13)(H4,9,10,11);1H3,(H,2,3,4)/p-2