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Currently viewing:
IUPAC name:
tetrasodium 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonate

Inventory

EC number:
279-408-8
EC name:
Tetrasodium 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonate
CAS number:
80157-00-2
CAS number:
80157-00-2
Synonyms
Names:
1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, tetrasodium salt
Identifier:
EC number
279-408-8
Identifier:
IUPAC name
Tetrasodium 7-({2-(carbamoylamino)-4-[(4-chloro-6-{3-[2-(sulfonatooxy)ethanesulfonyl]anilino}-1,3,5-triazin-2-yl)amino]phenyl}diazenyl)naphthalene-1,3,6-trisulfonate
Identifier:
IUPAC name
tetrasodium 7-[(E)-2-[2-(carbamoylamino)-4-{[4-chloro-6-({3-[2-(sulfonatooxy)ethanesulfonyl]phenyl}amino)-1,3,5-triazin-2-yl]amino}phenyl]diazen-1-yl]naphthalene-1,3,6-trisulfonate
Identifier:
IUPAC name
tetrasodium 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonate
Identifier:
IUPAC name
tetrasodium 7-{[2-(carbamoylamino)-4-({4-chloro-6-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)phenyl]diazenyl}naphthalene-1,3,6-trisulfonate
Identifier:
other: Molecular formula
C28H24ClN9O16S5.4Na
Identifier:
other: InChl
InChI=1/C28H24ClN9O16S5.4Na/c29-25-34-27(31-15-2-1-3-17(10-15)55(40,41)7-6-54-59(51,52)53)36-28(35-25)32-16-4-5-20(21(11-16)33-26(30)39)37-38-22-13-19-14(9-24(22)58(48,49)50)8-18(56(42,43)44)12-23(19)57(45,46)47;;;;/h1-5,8-13H,6-7H2,(H3,30,33,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,31,32,34,35,36);;;;/q;4*+1/p-4
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(Nc4cccc(c4)S(=O)(=O)CCOS([O-])(=O)=O)n5
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].[Na+].NC(=O)NC1=C(C=CC(NC2=NC(NC3=CC=CC(=C3)S(=O)(=O)CCOS([O-])(=O)=O)=NC(Cl)=N2)=C1)\N=N\C1=C(C=C2C=C(C=C(C2=C1)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
sodium (E)-2-(3-(4-chloro-6-(4-((3,6,8-trisulfonatonaphthalen-2-yl)diazenyl)-3-ureidophenylamino)-1,3,5-triazin-2-ylamino)phenylsulfonyl)ethyl sulfate

Molecular and structural information

Molecular formula:
C28H20ClN9Na4O16S5
Molecular weight:
ca. 1 026.25
SMILES notation:
[Na+].[Na+].[Na+].[Na+].Clc1nc(nc(n1)Nc2cccc(c2)S(=O)(=O)CCOS([O-])(=O)=O)Nc5cc(NC(=O)N)c(/N=N/c4cc3c(cc(cc3cc4S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc5
InChl:
InChI=1S/C28H24ClN9O16S5.4Na/c29-25-34-27(31-15-2-1-3-17(10-15)55(40,41)7-6-54-59(51,52)53)36-28(35-25)32-16-4-5-20(21(11-16)33-26(30)39)37-38-22-13-19-14(9-24(22)58(48,49)50)8-18(56(42,43)44)12-23(19)57(45,46)47;;;;/h1-5,8-13H,6-7H2,(H3,30,33,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,31,32,34,35,36);;;;/q;4*+1/p-4/b38-37+;;;;
Structural formula:
Chemical structure

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