2,5-diethoxy-3-(4-methylphenyl)-6-sulfanylidene-cyclohexa-1,3-diene-1-diazonium; hydrogen sulfate

Systemtic Name: 2,5-diethoxy-3-(4-methylphenyl)-6-sulfanylidene-cyclohexa-1,3-diene-1-diazonium; hydrogen sulfate Openeye Name: 2,5-diethoxy-3-(p-tolyl)-6-thioxo-cyclohexa-1,3-diene-1-diazonium; hydrogen sulfate CAS Name: 2,5-diethoxy-3-(4-methylphenyl)-6-sulfanylidene-1-cyclohexa-1,3-dienediazonium; hydrogen sulfate IUPAC Name: 2,5-diethoxy-3-(4-methylphenyl)-6-sulfanylidenecyclohexa-1,3-diene-1-diazonium; hydrogen sulfate Traditional Name: 2,5-diethoxy-3-(p-tolyl)-6-thioxo-cyclohexa-1,3-diene-1-diazonium bisulfate Formula: C17H20N2O6S2 MolecularWeight: 412.4805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C=C(C(=C(C1=S)[N+]#N)OCC)C2=CC=C(C=C2)C.OS(=O)(=O)[O-]

Isomeric SMILES

CCOC1C=C(C(=C(C1=S)[N+]#N)OCC)C2=CC=C(C=C2)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C17H19N2O2S.H2O4S/c1-4-20-14-10-13(12-8-6-11(3)7-9-12)16(21-5-2)15(19-18)17(14)22;1-5(2,3)4/h6-10,14H,4-5H2,1-3H3;(H2,1,2,3,4)/q+1;/p-1