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IUPAC name:
trisodium 1-amino-4-[[3-[[4-chloro-6-[(sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Inventory

EC number:
276-481-8
EC name:
Trisodium 1-amino-4-[[3-[[4-chloro-6-[(sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
CAS number:
72214-18-7
CAS number:
72214-18-7
Synonyms
Names:
2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro- 6-[(sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2 ,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro- 9,10-dioxo-, trisodium salt
2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, trisodium salt
Identifier:
IUPAC name
Reaction mass of Trisodium 1-amino-4-[[3-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate and Trisodium 1-amino-4-[[3-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
Identifier:
IUPAC name
Reaction mass of trisodium 1-amino-4-[[3-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate and trisodium 1-amino-4-[[3-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
Identifier:
other: InChl
1S/C18H12N6O10S.Cu.Na/c25-16-14(7-10(23(28)29)8-15(16)24(30)31)22-21-13-6-5-12(17(26)18(13)27)20-19-9-1-3-11(4-2-9)35(32,33)34;;/h1-8,19,25,27H,(H,32,33,34);;/q;+2;+1/p-3/b20-12+,22-21
Identifier:
other: SMILES notation
C1=CC(=CC=C1NN=C2C=CC(=C(C2=O)[O-])N=NC3=CC(=CC(=C3[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Cu+2] and C1=CC(=CC=C1N/N=C/2\C=CC(=C(C2=O)[O-])N=NC3=CC(=CC(=C3[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Cu+2]
Identifier:
other: SMILES notation
multiconstituent
Identifier:
other: InChl
multiconstituent
trisodium 1-amino-4-{[3-({4-chloro-6-[(2-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2,4,6-trimethyl-5-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

Molecular and structural information

Molecular formula:
C32H26ClN7O11S3.3Na
Molecular weight:
ca. 882.2
SMILES notation:
[Na+].[Na+].[Na+].Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c(c(C)c1Nc5nc(Cl)nc(Nc6ccccc6S(=O)(=O)[O-])n5)S(=O)(=O)[O-]
InChl:
InChI=1/C32H26ClN7O11S3.3Na/c1-13-25(35-19-12-21(53(46,47)48)24(34)23-22(19)27(41)16-8-4-5-9-17(16)28(23)42)14(2)29(54(49,50)51)15(3)26(13)37-32-39-30(33)38-31(40-32)36-18-10-6-7-11-20(18)52(43,44)45;;;/h4-12,35H,34H2,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,36,37,38,39,40);;;/q;3*+1/p-3
Structural formula:
Chemical structure

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EC number
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277-035-5