2-[6-[bis(azanyl)methylidene]-2-oxidanylidene-naphthalen-1-yl]ethanoic acid; methanesulfonate

Systemtic Name: 2-[6-[bis(azanyl)methylidene]-2-oxidanylidene-naphthalen-1-yl]ethanoic acid; methanesulfonate Openeye Name: 2-[6-(diaminomethylene)-2-oxo-1-naphthyl]acetic acid; methanesulfonate CAS Name: 2-[6-(diaminomethylidene)-2-oxo-1-naphthalenyl]acetic acid; methanesulfonate IUPAC Name: 2-[6-(diaminomethylidene)-2-oxonaphthalen-1-yl]acetic acid; methanesulfonate Traditional Name: 2-[6-(diaminomethylene)-2-keto-1-naphthyl]acetic acid mesylate Formula: C14H15N2O6S- MolecularWeight: 339.3437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC(=O)C(=C2C1=CC(=C(N)N)C=C2)CC(=O)O

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC(=O)C(=C2C1=CC(=C(N)N)C=C2)CC(=O)O

InChI

InChI=1S/C13H12N2O3.CH4O3S/c14-13(15)8-1-3-9-7(5-8)2-4-11(16)10(9)6-12(17)18;1-5(2,3)4/h1-5H,6,14-15H2,(H,17,18);1H3,(H,2,3,4)/p-1