4-[bis(azanyl)methylidene]-2-(phenylcarbonyl)cyclohexa-2,5-dien-1-one; methanesulfonic acid

Systemtic Name: 4-[bis(azanyl)methylidene]-2-(phenylcarbonyl)cyclohexa-2,5-dien-1-one; methanesulfonic acid Openeye Name: 2-benzoyl-4-(diaminomethylene)cyclohexa-2,5-dien-1-one; methanesulfonic acid CAS Name: 2-benzoyl-4-(diaminomethylidene)-1-cyclohexa-2,5-dienone; methanesulfonic acid IUPAC Name: 2-benzoyl-4-(diaminomethylidene)cyclohexa-2,5-dien-1-one; methanesulfonic acid Traditional Name: 2-benzoyl-4-(diaminomethylene)cyclohexa-2,5-dien-1-one; mesylic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C(C=C1)C(=O)C2=CC(=C(N)N)C=CC2=O

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C(C=C1)C(=O)C2=CC(=C(N)N)C=CC2=O

InChI

InChI=1S/C14H12N2O2.CH4O3S/c15-14(16)10-6-7-12(17)11(8-10)13(18)9-4-2-1-3-5-9;1-5(2,3)4/h1-8H,15-16H2;1H3,(H,2,3,4)