Molecule ID: 84305

IUPAC Name: zinc;4-(4-diazonio-3-methoxyphenyl)-2-methoxybenzenediazonium;tetrachloride

Description: The molecule is an organic chloride salt composed of 3,3'-dimethoxy[1,1'-biphenyl]-4,4'-bis(diazonium), zinc and chloride ions in a ratio of 1:1:4. Used for detection of marijuana metabolites in urine. It has a role as a histological dye. It is an organic chloride salt and a zinc molecular entity. It contains a zinc dichloride and a fast blue B.

SMILES: COc1cc(-c2ccc([N+]#N)c(OC)c2)ccc1[N+]#N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

SELFIES: [C][O][C][=C][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][N+1][#N][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][C][=C][Ring1][S][N+1][#N].[Cl-1].[Cl-1].[Cl-1].[Cl-1].[Zn+2]

InChI: InChI=1S/C14H12N4O2.4ClH.Zn/c1-19-13-7-9(3-5-11(13)17-15)10-4-6-12(18-16)14(8-10)20-2;;;;;/h3-8H,1-2H3;4*1H;/q+2;;;;;+2/p-4

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: nan