methanesulfonate; methyl 3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methanesulfonate; methyl 3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: methanesulfonate; methyl 3-(diaminomethylene)-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: 3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid methyl ester; methanesulfonate IUPAC Name: methanesulfonate; methyl 3-(diaminomethylidene)-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: 3-(diaminomethylene)-6-keto-cyclohexa-1,4-diene-1-carboxylic acid methyl ester mesylate Formula: C10H13N2O6S- MolecularWeight: 289.28502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N)N)C=CC1=O.CS(=O)(=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(N)N)C=CC1=O.CS(=O)(=O)[O-]

InChI

InChI=1S/C9H10N2O3.CH4O3S/c1-14-9(13)6-4-5(8(10)11)2-3-7(6)12;1-5(2,3)4/h2-4H,10-11H2,1H3;1H3,(H,2,3,4)/p-1