2-Naphthalenesulfonic acid, 6-amino-3-((2-butoxy-4-((4-(diethylamino)phenyl)azo)phenyl)azo)-4-hydroxy-
Basic information
- CAS
126485-31-2- Standard SMILES
CCCCOc1cc(N=Nc2ccc(N(CC)CC)cc2)ccc1N=Nc1c(S(=O)(=O)O)cc2ccc(N)cc2c1O- InChIKey
WIRQOPJFSYDQOR-UHFFFAOYSA-N- Molecular formula
- C30H34N6O5S
- Average molar mass
- 590.7 g/mol
- Monoisotopic mass
- 590.23113938
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 6-amino-3-((2-butoxy-4-((4-(diethylamino)phenyl)azo)phenyl)azo)-4-hydroxy-
- IUPAC
- 6-amino-3-[[2-butoxy-4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Names & synonyms
126485-31-22-Naphthalenesulfonic acid, 6-amino-3-((2-butoxy-4-((4-(diethylamino)phenyl)azo)phenyl)azo)-4-hydroxy-
Database identifiers
- CAS
126485-31-2- PubChem CID
- 147996
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 981
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Compound notes
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