1,4-dimethyl-6-(phenylcarbonyl)cyclohexa-2,4-diene-1-diazonium sulfate

Systemtic Name: 1,4-dimethyl-6-(phenylcarbonyl)cyclohexa-2,4-diene-1-diazonium sulfate Openeye Name: 6-benzoyl-1,4-dimethyl-cyclohexa-2,4-diene-1-diazonium sulfate CAS Name: 6-benzoyl-1,4-dimethyl-1-cyclohexa-2,4-dienediazonium sulfate IUPAC Name: 6-benzoyl-1,4-dimethylcyclohexa-2,4-diene-1-diazonium sulfate Traditional Name: 6-benzoyl-1,4-dimethyl-cyclohexa-2,4-diene-1-diazonium sulfate Formula: C30H30N4O6S MolecularWeight: 574.6474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C=C1)(C)[N+]#N)C(=O)C2=CC=CC=C2.CC1=CC(C(C=C1)(C)[N+]#N)C(=O)C2=CC=CC=C2.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(C(C=C1)(C)[N+]#N)C(=O)C2=CC=CC=C2.CC1=CC(C(C=C1)(C)[N+]#N)C(=O)C2=CC=CC=C2.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C15H15N2O.H2O4S/c2*1-11-8-9-15(2,17-16)13(10-11)14(18)12-6-4-3-5-7-12;1-5(2,3)4/h2*3-10,13H,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2