57583-69-4
TRISODIUM 5-[(4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO]-4-HYDROXY-3-[(1-SULPHONATO-2-NAPHTHYL)AZO]NAPHTHALENE-2,7-DISULPHONATE
NameTRISODIUM 5-[(4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO]-4-HYDROXY-3-[(1-SULPHONATO-2-NAPHTHYL)AZO]NAPHTHALENE-2,7-DISULPHONATE
FormulaC23 H11 Cl2 N6 O10 S3 . 3 Na
1Identification
【Name】
TRISODIUM 5-[(4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO]-4-HYDROXY-3-[(1-SULPHONATO-2-NAPHTHYL)AZO]NAPHTHALENE-2,7-DISULPHONATE
【CAS】
【MDL】
MFCD23142767
【English Synonyms】
【Formula】
C23 H11 Cl2 N6 O10 S3 . 3 Na
【MolWeight】
767.446
【Inchi】
InChI=1S/C23H14Cl2N6O10S3.3Na/c24-21-27-22(25)29-23(28-21)26-15-9-12(42(33,34)35)7-11-8-16(43(36,37)38)18(19(32)17(11)15)31-30-14-6-5-10-3-1-2-4-13(10)20(14)44(39,40)41;;;/h1-9,32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,26,27,28,29);;;/q;3*+1/p-3/b31-30+;;;
【InChIKey】
InChIKey=ZZHYREJHWJCRBB-HUVHLSCJSA-K
【SMILES】
c1ccc2c(c1)ccc(c2S(=O)(=O)[O-])/N=N/c3c(cc4cc(cc(c4c3O)Nc5nc(nc(n5)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
【MOL File】
TRISODIUM 5-[(4,6-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:16
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRISODIUM 5-[(4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO]-4-HYDROXY-3-[(1-SULPHONATO-2-NAPHTHYL)AZO]NAPHTHALENE-2,7-DISULPHONATE.cml