bis(3-chloranyl-1,5-dimethyl-2-phenyl-pyrazol-1-ium-4-yl)diazene; methyl sulfate

Systemtic Name: bis(3-chloranyl-1,5-dimethyl-2-phenyl-pyrazol-1-ium-4-yl)diazene; methyl sulfate Openeye Name: bis(3-chloro-1,5-dimethyl-2-phenyl-pyrazol-1-ium-4-yl)diazene; methyl sulfate CAS Name: bis(3-chloro-1,5-dimethyl-2-phenyl-4-pyrazol-1-iumyl)diazene; methyl sulfate IUPAC Name: bis(3-chloro-1,5-dimethyl-2-phenylpyrazol-1-ium-4-yl)diazene; methyl sulfate Traditional Name: bis(3-chloro-1,5-dimethyl-2-phenyl-pyrazol-1-ium-4-yl)diazene; methyl sulfate Formula: C24H28Cl2N6O8S2 MolecularWeight: 663.55052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N(C(=C1N=NC2=C(N([N+](=C2C)C)C3=CC=CC=C3)Cl)Cl)C4=CC=CC=C4)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](N(C(=C1N=NC2=C(N([N+](=C2C)C)C3=CC=CC=C3)Cl)Cl)C4=CC=CC=C4)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C22H22Cl2N6.2CH4O4S/c1-15-19(21(23)29(27(15)3)17-11-7-5-8-12-17)25-26-20-16(2)28(4)30(22(20)24)18-13-9-6-10-14-18;2*1-5-6(2,3)4/h5-14H,1-4H3;2*1H3,(H,2,3,4)/q+2;;/p-2