Basic information
- CAS
178261-58-0- Standard SMILES
O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3Oc3ccccc3C3CCCCC3)c(O)c12)c1ccccc1- InChIKey
OEGNZGHSJLQMPP-UHFFFAOYSA-N- Molecular formula
- C35H31N3O9S2
- Average molar mass
- 701.8 g/mol
- Monoisotopic mass
- 701.15017192
Names & identifiers
- Preferred name
- 5-(Benzoylamino)-3-(2-(2-(2-cyclohexylphenoxy)phenyl)diazenyl)-4-hydroxy-2,7-naphthalenedisulfonic acid
- IUPAC
- 5-benzamido-3-[[2-(2-cyclohexylphenoxy)phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
Names & synonyms
UNII-3O4K69B0495-(Benzoylamino)-3-(2-(2-(2-cyclohexylphenoxy)phenyl)diazenyl)-4-hydroxy-2,7-naphthalenedisulfonic acid3O4K69B049178261-58-02,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-((2-(2-cyclohexylphenoxy)phenyl)azo)-4-hydroxy-2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-(2-(2-(2-cyclohexylphenoxy)phenyl)diazenyl)-4-hydroxy-Q27257798
Database identifiers
- CAS
178261-58-0- PubChem CID
- 166312
- UNII
- 3O4K69B049
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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