Molecule ID: 28781

IUPAC Name: disodium;5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonate

Description: The molecule is a 2,4-dichloro-1,3,5-triazine with a multi-substituted napthalen-1-ylamino substituent at the 6-position. It has a role as a dye. It is an azo compound and a chloro-1,3,5-triazine.

SMILES: O=S(=O)([O-])c1cc(N=c2nc(Cl)nc(Cl)[nH]2)c2c([O-])c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1.[Na+].[Na+]

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

InChI: InChI=1S/C19H12Cl2N6O7S2.2Na/c20-17-23-18(21)25-19(24-17)22-12-8-11(35(29,30)31)6-9-7-13(36(32,33)34)15(16(28)14(9)12)27-26-10-4-2-1-3-5-10;;/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25);;/q;2*+1/p-2

Molecular Properties:
- Polar Surface Area: 227.0 Ų
- LogP: nan