Molecule ID: 64957

IUPAC Name: 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazol-3-ium;chloride

Description: The molecule is an organic chloride salt having iodonitrotetrazolium as the counterion. It has a role as a histological dye. It contains an iodonitrotetrazolium.

SMILES: O=[N+]([O-])c1ccc(-[n+]2nc(-c3ccccc3)nn2-c2ccc(I)cc2)cc1.[Cl-]

SELFIES: [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][=N][N+1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2].[Cl-1]

InChI: InChI=1S/C19H13IN5O2.ClH/c20-15-6-8-16(9-7-15)23-21-19(14-4-2-1-3-5-14)22-24(23)17-10-12-18(13-11-17)25(26)27;/h1-13H;1H/q+1;/p-1

Molecular Properties:
- Polar Surface Area: 80.4 Ų
- LogP: nan