2,7-Naphthalenedisulfonic acid, 4-amino-3-[2-[4-[2-[4-[2-(2,4-diaminophenyl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:4)
Basic information
- CAS
51473-76-8- Standard SMILES
Nc1ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4c(S(=O)(=O)[O-])cc5cc(S(=O)(=O)[O-])c(N=Nc6ccccc6)c(O)c5c4N)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)c(N)c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
JYQNXBHNMUPSEV-UHFFFAOYSA-J- Molecular formula
- C36H25N9Na4O13S4
- Average molar mass
- 1,011.9 g/mol
- Monoisotopic mass
- 1,011.0045437
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 4-amino-3-[2-[4-[2-[4-[2-(2,4-diaminophenyl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:4)
- IUPAC
- tetrasodium;4-amino-3-[[4-[2-[4-[(2,4-diaminophenyl)diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonate
Names & synonyms
DTXSID1013612702,7-Naphthalenedisulfonic acid, 4-amino-3-[2-[4-[2-[4-[2-(2,4-diaminophenyl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:4)
Database identifiers
- CAS
51473-76-8- PubChem CID
- 136249042
- DTXSID
DTXSID101361270
Properties
Computed structural properties
- Topological polar surface area
- 435 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 8
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 2,070
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Compound notes
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