CAS No.93951-21-4,tetrasodium 4-amino-5-hydroxy-6-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	93951-21-4
Name:	tetrasodium 4-amino-5-hydroxy-6-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate

Formula:	C₂₇H₂₃N₅Na₄O₂₀S₆
Molecular Weight:	1021.8421
Synonyms:	2,7-Naphthalenedisulfonicacid,4-amino-5-hydroxy-6-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-,tetrasodium salt (9CI);
EINECS:	300-644-5
Density:	1.59[at 20℃]
Boiling Point:	1442.57℃[at 101 325 Pa]
Solubility:	392g/L at 20℃
PSA:	470.74000
LogP:	8.34220

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Specification

The 2,7-Naphthalenedisulfonicacid,4-amino-5-hydroxy-6-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-,sodium salt (1:4), with the CAS registry number 93951-21-4, is also known as 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-((2-methoxy-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-, tetrasodium salt. Its EINECS registry number is 300-644-5. This chemical's molecular formula is C₂₇H₂₃N₅Na₄O₂₀S₆ and molecular weight is 1021.8421. Its systematic name is called tetrasodium 5-amino-4-hydroxy-3-[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]azo-6-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonate.

Physical properties of 2,7-Naphthalenedisulfonicacid,4-amino-5-hydroxy-6-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-,sodium salt (1:4): (1)#H bond acceptors: 25; (2)#H bond donors: 7; (3)#Freely Rotating Bonds: 19; (4)Polar Surface Area: 470.74 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[Na+].[Na+].COc4ccc(cc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(=O)(=O)CCOS([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O
(2)InChI: InChI=1/C27H27N5O20S6.4Na/c1-50-20-7-6-18(54(36,37)11-9-52-58(47,48)49)14-19(20)30-32-26-22(56(41,42)43)13-15-12-21(55(38,39)40)25(24(28)23(15)27(26)33)31-29-16-2-4-17(5-3-16)53(34,35)10-8-51-57(44,45)46;;;;/h2-7,12-14,33H,8-11,28H2,1H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;;/q;4*+1/p-4
(3)InChIKey: GJPONJURWYSMLN-XBHQNQODAT