Molecule ID: 135565122

IUPAC Name: sodium;5-chloro-2-[5-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate

Description: The molecule is an organic sodium salt that is the monosodium salt of 5-chloro-2-[5-hydroxy-3-methyl-4-({4-[(4-methylbenzene-1-sulfonyl)oxy]phenyl}diazenyl)-1H-pyrazol-1-yl]benzene-1-sulfonic acid. It has a role as a histological dye. It contains a Milling yellow 3G(1-).

SMILES: Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3c(C)[nH]n(-c4ccc(Cl)cc4S(=O)(=O)[O-])c3=O)cc2)cc1.[Na+]

SELFIES: [C][C][=C][C][=C][Branch2][Branch1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring2][Ring2][N][=N][C][=C][Branch1][C][C][NH1][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][Ring1][P][=O][C][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][Ring2].[Na+1]

InChI: InChI=1S/C23H19ClN4O7S2.Na/c1-14-3-10-19(11-4-14)37(33,34)35-18-8-6-17(7-9-18)25-26-22-15(2)27-28(23(22)29)20-12-5-16(24)13-21(20)36(30,31)32;/h3-13,27H,1-2H3,(H,30,31,32);/q;+1/p-1

Molecular Properties:
- Polar Surface Area: 174.0 Ų
- LogP: nan