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

Systemtic Name: 2-[bis(azanyl)methylideneamino]benzoate; methanesulfonate Openeye Name: 2-guanidinobenzoate; methanesulfonate CAS Name: 2-(diaminomethylideneamino)benzoate; methanesulfonate IUPAC Name: 2-(diaminomethylideneamino)benzoate; methanesulfonate Traditional Name: 2-guanidinobenzoate dimesylate Formula: C10H14N3O8S2-3 MolecularWeight: 368.36346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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