Basic information
- CAS
70209-88-0- Standard SMILES
COc1cc(N=Nc2ccc(O)c(C(=O)[O-])c2)c2cc(S(=O)(=O)[O-])ccc2c1N=Nc1c(O)cc(S(=O)(=O)[O-])c2cc(NC(=O)C(N=Nc3ccccc3C(=O)[O-])C(C)=O)ccc12.[Na+].[Na+].[Na+].[Na+]- InChIKey
UAUWAILLMHXISG-UHFFFAOYSA-J- Molecular formula
- C39H25N7Na4O15S2
- Average molar mass
- 987.7 g/mol
- Monoisotopic mass
- 987.04408259
Names & identifiers
- Preferred name
- Benzoic acid, 5-[2-[4-[2-[6-[[2-[2-(2-carboxyphenyl)diazenyl]-1,3-dioxobutyl]amino]-2-hydroxy-4-sulfo-1-naphthalenyl]diazenyl]-3-methoxy-7-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-, sodium salt (1:4)
- IUPAC
- tetrasodium;5-[[4-[[6-[[2-[(2-carboxylatophenyl)diazenyl]-3-oxobutanoyl]amino]-2-hydroxy-4-sulfonatonaphthalen-1-yl]diazenyl]-3-methoxy-7-sulfonatonaphthalen-1-yl]diazenyl]-2-hydroxybenzoate
Names & synonyms
70209-88-0DTXSID00890049EINECS 274-387-15-((4-((6-((2-((2-Carboxyphenyl)azo)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)azo)-3-methoxy-7-sulfo-1-naphthalenyl)azo)-2-hydroxybenzoic acid, tetrasodium saltBenzoic acid, 5-((4-((6-((2-((2-carboxyphenyl)azo)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)azo)-3-methoxy-7-sulfo-1-naphthalenyl)azo)-2-hydroxy-, tetrasodium saltBenzoic acid, 5-(2-(4-(2-(6-((2-(2-(2-carboxyphenyl)diazenyl)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl)-3-methoxy-7-sulfo-1-naphthalenyl)diazenyl)-2-hydroxy-, sodium salt (1:4)Benzoic acid, 5-[2-[4-[2-[6-[[2-[2-(2-carboxyphenyl)diazenyl]-1,3-dioxobutyl]amino]-2-hydroxy-4-sulfo-1-naphthalenyl]diazenyl]-3-methoxy-7-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-, sodium salt (1:4)Benzoic acid, 5-[[4-[[6-[[2-[(2-carboxyphenyl)azo]-1,3-dioxobutyl]amino]-2-hydroxy-4-sulfo-1-naphthalenyl]azo]-3-methoxy-7-sulfo-1-naphthalenyl]azo]-2-hydroxy-, tetrasodium saltRefChem:118493DTXCID201078973Tetrasodium 5-((4-((6-((2-((2-carboxylatophenyl)azo)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulphonato-1-naphthyl)azo)-3-methoxy-7-sulphonato-1-naphthyl)azo)salicylate
Properties
Computed structural properties
- Topological polar surface area
- 381 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 10
- Heavy atoms
- 67
- Formal charge
- 0
- Complexity
- 1,960
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzoic acid, 5-[[4-[[6-[[2-[(2-carboxyphenyl)azo]-1,3-dioxobutyl]amino]-2-hydroxy-4-sulfo-1-naphthalenyl]azo]-3-methoxy-7-sulfo-1-naphthalenyl]azo]-2-hydroxy-, tetrasodium salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 5-[2-[4-[2-[6-[[2-[2-(2-carboxyphenyl)diazenyl]-1,3-dioxobutyl]amino]-2-hydroxy-4-sulfo-1-naphthalenyl]diazenyl]-3-methoxy-7-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-, sodium salt (1:4): INACTIVE
Related reactions
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Compound notes
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