6637-87-2
DISODIUM 4-[[2,4-DIHYDROXY-5-[(2-HYDROXY-3,5-DINITROPHENYL)AZO]-3-[(4-NITROPHENYL)AZO]PHENYL]AZO]-5-HYDROXYNAPHTHALENE-2,7-DISULPHONATE
NameDISODIUM 4-[[2,4-DIHYDROXY-5-[(2-HYDROXY-3,5-DINITROPHENYL)AZO]-3-[(4-NITROPHENYL)AZO]PHENYL]AZO]-5-HYDROXYNAPHTHALENE-2,7-DISULPHONATE
FormulaC28 H15 N9 O16 S2 . 2 Na
1Identification
【Name】
DISODIUM 4-[[2,4-DIHYDROXY-5-[(2-HYDROXY-3,5-DINITROPHENYL)AZO]-3-[(4-NITROPHENYL)AZO]PHENYL]AZO]-5-HYDROXYNAPHTHALENE-2,7-DISULPHONATE
【CAS】
【MDL】
MFCD23142663
【English Synonyms】
【Formula】
C28 H15 N9 O16 S2 . 2 Na
【MolWeight】
843.586
【Inchi】
InChI=1S/C28H17N9O16S2.2Na/c38-23-10-17(55(51,52)53)6-12-5-16(54(48,49)50)9-18(24(12)23)30-32-20-11-21(33-31-19-7-15(36(44)45)8-22(26(19)39)37(46)47)28(41)25(27(20)40)34-29-13-1-3-14(4-2-13)35(42)43;;/h1-11,38-41H,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2/b32-30+,33-31+,34-29+;;
【InChIKey】
InChIKey=SKCQDFLBBMGDPT-YNVLCFGRSA-L
【SMILES】
c1cc(ccc1/N=N/c2c(c(cc(c2O)/N=N/c3cc(cc4c3c(cc(c4)S(=O)(=O)[O-])O)S(=O)(=O)[O-])/N=N/c5cc(cc(c5O)[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-].[Na+].[Na+]
【MOL File】
DISODIUM 4-[[2,4-DIH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:25
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DISODIUM 4-[[2,4-DIHYDROXY-5-[(2-HYDROXY-3,5-DINITROPHENYL)AZO]-3-[(4-NITROPHENYL)AZO]PHENYL]AZO]-5-HYDROXYNAPHTHALENE-2,7-DISULPHONATE.cml