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EC number: 280-489-7 | CAS number: 83567-04-8
Reference substances
- IUPAC name:
- trisodium 7-[[4-chloro-6-[ethyl[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate
Inventory
- EC number:
- 280-489-7
- EC name:
- Trisodium 7-[[4-chloro-6-[ethyl[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate
- CAS number:
- 83567-04-8
- CAS number:
- 83567-04-8
Synonyms
- Names:
- 2-Naphthalenesulfonic acid, 7-[[4-chloro-6-[ethyl[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, trisodium salt
- Identifier:
- IUPAC name
- Trisodium (3Z)-7-({4-chloro-6-[ethyl({3-[2-(sulfonatooxy)ethanesulfonyl]phenyl})amino]-1,3,5-triazin-2-yl}amino)-3- [2-(4-methoxy-2-sulfonatophenyl)hydrazin-1-ylidene]-4-oxo-3,4-dihydronaphthalene-2-sulfonate
- Identifier:
- IUPAC name
- trisodium (3Z)-7-({4-chloro-6-[ethyl({3-[2-(sulfonatooxy)ethanesulfonyl]phenyl})amino]-1,3,5-triazin-2-yl}amino)-3-[2-(4-methoxy-2-sulfonatophenyl)hydrazin-1-ylidene]-4-oxo-3,4-dihydronaphthalene-2-sulfonate
- Identifier:
- other: Molecular formula
- C30H28ClN7O14S4.3Na
- Identifier:
- other: SMILES notation
- CCN(c1cccc(S(=O)(=O)CCOS(=O)(=O)[O-].[Na+])c1)c1nc(Nc2ccc3c(c2)cc(S(=O)(=O)[O-].[Na+])c(N=Nc2ccc(OC)cc2S(=O)(=O)[O-].[Na+])c3O)nc(Cl)n1
- Identifier:
- other: SMILES notation
- O=S(C(C=C(OC)C=C1)=C1/N=N/C(C(S(=O)(O[Na])=O)=C2)=C(O)C3=C2C=C(NC4=NC(N(CC)C5=CC=CC(S(CCOS(=O)(O[Na])=O)(=O)=O)=C5)=NC(Cl)=N4)C=C3)(O[Na])=O
- trisodium 7-({4-chloro-6-[ethyl(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
Molecular and structural information
- Molecular formula:
- C30H28ClN7O14S4.3Na
C30H25ClN7Na3O14S4 - Molecular weight:
- 940.24
- SMILES notation:
- [Na+].[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(n4)N(CC)c5cccc(c5)S(=O)(=O)CCOS([O-])(=O)=O
- InChl:
- InChI=1/C30H28ClN7O14S4.3Na/c1-3-38(19-5-4-6-21(15-19)53(40,41)12-11-52-56(48,49)50)30-34-28(31)33-29(35-30)32-18-7-9-22-17(13-18)14-25(55(45,46)47)26(27(22)39)37-36-23-10-8-20(51-2)16-24(23)54(42,43)44;;;/h4-10,13-16,39H,3,11-12H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,32,33,34,35);;;/q;3*+1/p-3
- Structural formula:
Related substances
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