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Basic information
- CAS
78265-87-9- Standard SMILES
Nc1cc(N=Nc2cc(N=Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c34)c(O)cc2O)ccc1[N+](=O)[O-]- InChIKey
XLHPDLDKQBMQKM-UHFFFAOYSA-N- Molecular formula
- C22H16N6O11S2
- Average molar mass
- 604.5 g/mol
- Monoisotopic mass
- 604.03184769
Names & identifiers
- Preferred name
- 4-[2-[5-[2-(3-Amino-4-nitrophenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid
- IUPAC
- 4-[[5-[(3-amino-4-nitrophenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
Names & synonyms
78265-87-94-(2-(5-(2-(3-Amino-4-nitrophenyl)diazenyl)-2,4-dihydroxyphenyl)diazenyl)-5-hydroxy-2,7-naphthalenedisulfonic acid4-[2-[5-[2-(3-Amino-4-nitrophenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acidRefChem:2870352,7-Naphthalenedisulfonic acid, 4-((5-((3-amino-4-nitrophenyl)azo)-2,4-dihydroxyphenyl)azo)-5-hydroxy-2,7-Naphthalenedisulfonic acid, 4-(2-(5-(2-(3-amino-4-nitrophenyl)diazenyl)-2,4-dihydroxyphenyl)diazenyl)-5-hydroxy-2,7-Naphthalenedisulfonic acid, 4-[[5-[(3-amino-4-nitrophenyl)azo]-2,4-dihydroxyphenyl]azo]-5-hydroxy-DTXSID5072858XLHPDLDKQBMQKM-UHFFFAOYSA-N4-({5-[(3-Amino-4-nitrophenyl)diazenyl]-2,4-dihydroxyphenyl}diazenyl)-5-hydroxynaphthalene-2,7-disulfonic acid
Database identifiers
- CAS
78265-87-9- PubChem CID
- 166309
- DTXSID
DTXSID5072858- Nikkaji
- J453.517K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 307 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
0 records
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Compound notes
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