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EC number: 274-700-1 | CAS number: 70616-89-6
Reference substances
- IUPAC name:
- trisodium 2-({6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)(methyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}azo)naphthalene-1,5-disulfonate
Inventory
- EC number:
- 274-700-1
- EC name:
- Trisodium 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate
- CAS number:
- 70616-89-6
- CAS number:
- 70616-89-6
Synonyms
- Names:
- 1,5-Naphthalenedisulfonic acid, 2-[[6-[(4-amino-6-chloro- 1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo -2-naphthalenyl]azo]-, trisodium salt
- 1,5-Naphthalenedisulfonic acid, 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, trisodium salt
- Identifier:
- CAS number
- 70616-89-6
- Identifier:
- IUPAC name
- Trisodium 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate
- Identifier:
- IUPAC name
- Trisodium 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate
- Identifier:
- IUPAC name
- trisodium 2-({6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)(methyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)naphthalene-1,5-disulfonate
- Identifier:
- IUPAC name
- trisodium 2-[(E)-2-{6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)(methyl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl}diazen-1-yl]naphthalene-1,5-disulfonate
- Identifier:
- Colour Index
- Reactive Orange 013
- Identifier:
- other: InChl
- 1S/C24H18ClN7O10S3.3Na/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36;;;/h2-10,33H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H2,26,27,28,29);;;/q;3*+1/p-3/b31-30+;;;
- Identifier:
- other: Molecular formula
- C24H15ClN7Na3O10S3
- Identifier:
- other: SMILES notation
- [Na+].[Na+].[Na+].CN(C1=CC2=CC(=C(\N=N\C3=C(C4=CC=CC(=C4C=C3)S([O-])(=O)=O)S([O-])(=O)=O)C(O)=C2C=C1)S([O-])(=O)=O)C1=NC(N)=NC(Cl)=N1
- Identifier:
- other: SMILES notation
- c1(S(=O)(=O)[O-])c(\N=N\c2c(S(=O)(=O)[O-])c3cccc(S(=O)(=O)[O-])c3cc2)c(O)c2c(c1)cc(N(c1nc(N)nc(n1)Cl)C)cc2.[Na+].[Na+].[Na+]
Molecular and structural information
- Molecular formula:
- C24H18ClN7O10S3.3Na
- Molecular weight:
- 762.034
- SMILES notation:
- [Na+].[Na+].[Na+].Nc1nc(nc(Cl)n1)N(C)c4cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O
- InChl:
- InChI=1/C24H18ClN7O10S3.3Na/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36;;;/h2-10,33H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H2,26,27,28,29);;;/q;3*+1/p-3
- Structural formula:
Related substances
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