Basic information
- CAS
72245-51-3- Standard SMILES
O=S(=O)([O-])c1cccc(N=Nc2ccc(N=Nc3ccc(N=Nc4c(S(=O)(=O)[O-])cc5cc(Nc6ccccc6)ccc5c4O)c4ccc(S(=O)(=O)[O-])cc34)c3cc(S(=O)(=O)[O-])ccc23)c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
UMMJDDMEXKGBJR-UHFFFAOYSA-J- Molecular formula
- C42H25N7Na4O13S4
- Average molar mass
- 1,055.9 g/mol
- Monoisotopic mass
- 1,054.9983957
Names & identifiers
- Preferred name
- 5-((1-Hydroxy-6-(phenylamino)-3-sulpho-2-naphthyl)azo)-8-((7-sulpho-4-((3-sulphophenyl)azo)-1-naphthyl)azo)naphthalene-2-sulphonic acid, sodium salt
- IUPAC
- tetrasodium;7-anilino-4-hydroxy-3-[[6-sulfonato-4-[[7-sulfonato-4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonate
Names & synonyms
EINECS 276-526-12-Naphthalenesulfonic acid, 5-(2-(1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)-8-(2-(7-sulfo-4-(2-(3-sulfophenyl)diazenyl)-1-naphthalenyl)diazenyl)-, sodium salt (1:?)5-((1-Hydroxy-6-(phenylamino)-3-sulpho-2-naphthyl)azo)-8-((7-sulpho-4-((3-sulphophenyl)azo)-1-naphthyl)azo)naphthalene-2-sulphonic acid, sodium salt
Database identifiers
- CAS
72245-51-3- PubChem CID
- 166264
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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