Basic information
- CAS
72245-52-4- Standard SMILES
O=S(=O)([O-])c1cccc(N=Nc2ccc(N=Nc3ccc(N=Nc4c(S(=O)(=O)[O-])cc5cc(Nc6ccccc6)ccc5c4O)c4cc(S(=O)(=O)[O-])ccc34)c3ccc(S(=O)(=O)[O-])cc23)c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
ODVJQFROSCGYJJ-UHFFFAOYSA-J- Molecular formula
- C42H25N7Na4O13S4
- Average molar mass
- 1,055.9 g/mol
- Monoisotopic mass
- 1,054.9983957
Names & identifiers
- Preferred name
- 8-((1-Hydroxy-6-(phenylamino)-3-sulpho-2-naphthyl)azo)-5-((6-sulpho-4-((3-sulphophenyl)azo)-1-naphthyl)azo)naphthalene-2-sulphonic acid, sodium salt
- IUPAC
- tetrasodium;7-anilino-4-hydroxy-3-[[7-sulfonato-4-[[6-sulfonato-4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonate
Names & synonyms
72245-52-4EINECS 276-527-72-Naphthalenesulfonic acid, 8-(2-(1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)-5-(2-(6-sulfo-4-(2-(3-sulfophenyl)diazenyl)-1-naphthalenyl)diazenyl)-, sodium salt (1:?)8-((1-Hydroxy-6-(phenylamino)-3-sulpho-2-naphthyl)azo)-5-((6-sulpho-4-((3-sulphophenyl)azo)-1-naphthyl)azo)naphthalene-2-sulphonic acid, sodium salt
Database identifiers
- CAS
72245-52-4- PubChem CID
- 166266
- EC Number
- 276-527-7
Properties
Computed structural properties
- Topological polar surface area
- 369 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 8
- Heavy atoms
- 70
- Formal charge
- 0
- Complexity
- 2,170
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenesulfonic acid, 8-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-5-[2-[6-sulfo-4-[2-(3-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:?): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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