6222-55-5
4-HO-5-(2-MEO-4-NITRO-PH-AZO)-6-PHENYLAMINO-NAPHTHALENE-2-SULFONIC ACID, NA
Name4-HO-5-(2-MEO-4-NITRO-PH-AZO)-6-PHENYLAMINO-NAPHTHALENE-2-SULFONIC ACID, NA
FormulaC23 H17 N4 O7 S . Na
1Identification
【Name】
4-HO-5-(2-MEO-4-NITRO-PH-AZO)-6-PHENYLAMINO-NAPHTHALENE-2-SULFONIC ACID, NA
【CAS】
【MDL】
MFCD00267009
【English Synonyms】
【Formula】
C23 H17 N4 O7 S . Na
【MolWeight】
516.464
【Inchi】
InChI=1S/C23H18N4O7S.Na/c1-34-21-12-16(27(29)30)8-10-18(21)25-26-23-19(24-15-5-3-2-4-6-15)9-7-14-11-17(35(31,32)33)13-20(28)22(14)23;/h2-13,24,28H,1H3,(H,31,32,33);/q;+1/p-1/b26-25+;
【InChIKey】
InChIKey=MTSYJFXRUHYXME-BTKVJIOYSA-M
【SMILES】
COc1cc(ccc1/N=N/c2c(ccc3c2c(cc(c3)S(=O)(=O)[O-])O)Nc4ccccc4)[N+](=O)[O-].[Na+]
【MOL File】
4-HO-5-(2-MEO-4-NITR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:11
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-HO-5-(2-MEO-4-NITRO-PH-AZO)-6-PHENYLAMINO-NAPHTHALENE-2-SULFONIC ACID, NA.cml