Basic information
- CAS
25747-10-8- Standard SMILES
CC(=O)Nc1cccc2ccc(O)c(N=Nc3cc(Cl)cc(S(=O)(=O)O)c3O)c12- InChIKey
OLSGVCIHZISXLU-UHFFFAOYSA-N- Molecular formula
- C18H14ClN3O6S
- Average molar mass
- 435.8 g/mol
- Monoisotopic mass
- 435.029184
Names & identifiers
- Preferred name
- 3-[2-[8-(Acetylamino)-2-hydroxy-1-naphthalenyl]diazenyl]-5-chloro-2-hydroxybenzenesulfonic acid
- IUPAC
- 3-[(8-acetamido-2-hydroxynaphthalen-1-yl)diazenyl]-5-chloro-2-hydroxybenzenesulfonic acid
Names & synonyms
DTXSID20111739725747-10-83-[2-[8-(Acetylamino)-2-hydroxy-1-naphthalenyl]diazenyl]-5-chloro-2-hydroxybenzenesulfonic acid3-[(8-Acetamido-2-hydroxynaphthalen-1-yl)diazenyl]-5-chloro-2-hydroxybenzene-1-sulfonic acid
Database identifiers
- CAS
25747-10-8- PubChem CID
- 80919
- DTXSID
DTXSID201117397- EC Number
- 607-799-0
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 730
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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