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1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-,sodium salt (1:5)

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Name

1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-,sodium salt (1:5)

EINECS 252-193-8
CAS No. 34759-29-0 Density N/A
PSA 547.11000 LogP 7.81100
Solubility N/A Melting Point N/A
Formula C35H21Cl2N14Na5O16S5 Boiling Point N/A
Molecular Weight 1239.81 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 34759-29-0 (1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, pentasodium salt) Hazard Symbols N/A
Synonyms

1,3,6-Naphthalenetrisulfonicacid,7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-,pentasodium salt (9CI);

 

1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-,sodium salt (1:5) Specification

This chemical is called 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-,sodium salt (1:5), and its IUPAC name is pentasodium 7-[[2-(carbamoylamino)-4-[[4-chloro-6-[5-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate. With the molecular formula of C35H21Cl2N14Na5O16S5, its molecular weight is 1239.81. The CAS registry number of this chemical is 34759-29-0.

Other characteristics of the 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-,sodium salt (1:5) can be summarised as followings: (1)#Freely Rotating Bonds: 12; (2)Polar Surface Area: 533.2 ?2; (3)H-Bond Donor: 6; (4)H-Bond Acceptor: 18; (5)Rotatable Bond Count: 11; (6)Tautomer Count: 906; (7)Exact Mass: 1237.872903; (8)MonoIsotopic Mass: 1237.872903; (9)Topological Polar Surface Area: 533; (10)Heavy Atom Count: 77; (11)Formal Charge: 0; (12)Complexity: 2440; (13)Isotope Atom Count: 0; (14)Covalently-Bonded Unit Count: 6.

You can still convert the following datas into molecular structure: 
1.SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc7cc(Nc6nc(Nc5cc(NC(N)=O)c(N=Nc3cc4c(cc(cc4cc3S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc5)nc(Cl)n6)c(cc7)S([O-])(=O)=O
2.InChI: InChI=1/C35H26Cl2N14O16S5.5Na/c36-29-44-32(39-16-2-1-3-19(10-16)68(53,54)55)48-33(45-29)41-18-5-7-26(70(59,60)61)24(12-18)43-35-47-30(37)46-34(49-35)40-17-4-6-22(23(11-17)42-31(38)52)50-51-25-14-21-15(9-28(25)72(65,66)67)8-20(69(56,57)58)13-27(21)71(62,63)64;;;;;/h1-14H,(H3,38,42,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H2,39,41,44,45,48)(H2,40,43,46,47,49);;;;;/q;5*+1/p-5
3.InChIKey: CJWGCINWZIYUOA-AACRGIKGAX

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