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 mesylate Formula: C9H11N3O5S-2 MolecularWeight: 273.26574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N3O2.CH4O3S/c9-8(10)11-6-4-2-1-3-5(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