4-methylbenzenesulfonate; 6-oxidanylidenecyclohexa-1,3-diene-1-diazonium

Systemtic Name: 4-methylbenzenesulfonate; 6-oxidanylidenecyclohexa-1,3-diene-1-diazonium Openeye Name: 4-methylbenzenesulfonate; 6-oxocyclohexa-1,3-diene-1-diazonium CAS Name: 4-methylbenzenesulfonate; 6-oxo-1-cyclohexa-1,3-dienediazonium IUPAC Name: 4-methylbenzenesulfonate; 6-oxocyclohexa-1,3-diene-1-diazonium Traditional Name: 6-ketocyclohexa-1,3-diene-1-diazonium tosylate Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C=CC=C(C1=O)[N+]#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C=CC=C(C1=O)[N+]#N

InChI

InChI=1S/C7H8O3S.C6H5N2O/c1-6-2-4-7(5-3-6)11(8,9)10;7-8-5-3-1-2-4-6(5)9/h2-5H,1H3,(H,8,9,10);1-3H,4H2/q;+1/p-1