Registration Dossier
Registration Dossier
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EC number: 228-327-6 | CAS number: 6227-20-9
Reference substances
- IUPAC name:
- trisodium 3-[[4-[[6-(anilino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate
Inventory
- EC number:
- 228-327-6
- EC name:
- Trisodium 3-[[4-[[6-(anilino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate
- CAS number:
- 6227-20-9
- CAS number:
- 6227-20-9
Synonyms
- Names:
- 1,5-Naphthalenedisulfonic acid, 3-[[4-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-5-methoxy-2-methylphenyl]azo]-, trisodium salt
- Identifier:
- IUPAC name
- 1,5-Naphthalenedisulfonic acid, 3-[2-[4-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:3)
- Identifier:
- IUPAC name
- trisodium;3-[[4-[(2E)-2-(6-anilino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate
- Identifier:
- other: Molecular formula
- C34H24N5O11S3.3Na
- Identifier:
- other: SMILES notation
- CC1=CC(=C(C=C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NN=C4C(=CC5=C(C4=O)C=CC(=C5)NC6=CC=CC=C6)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
- trisodium 3-({4-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-1,5-disulfonate
Molecular and structural information
- Molecular formula:
- C34H27N5O11S3.3Na
- Molecular weight:
- 843.746
- SMILES notation:
- [Na+].[Na+].[Na+].COc6cc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6N=Nc5c(cc4cc(Nc3ccccc3)ccc4c5O)S([O-])(=O)=O
- InChl:
- InChI=1/C34H27N5O11S3.3Na/c1-19-13-28(38-39-33-32(53(47,48)49)15-20-14-22(11-12-24(20)34(33)40)35-21-7-4-3-5-8-21)29(50-2)18-27(19)37-36-23-16-26-25(31(17-23)52(44,45)46)9-6-10-30(26)51(41,42)43;;;/h3-18,35,40H,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3
- Structural formula:
Related substances
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