Basic information
- CAS
713068-98-5- Standard SMILES
COc1ccccc1N=Nc1c(S(=O)(=O)O)cc2c(S(=O)(=O)O)ccc(NC(=O)c3ccc(Cl)cc3Cl)c2c1O- InChIKey
DKDDANDQYBDKEG-UHFFFAOYSA-N- Molecular formula
- C24H17Cl2N3O9S2
- Average molar mass
- 626.4 g/mol
- Monoisotopic mass
- 624.9783269
Names & identifiers
- Preferred name
- 4-(2,4-Dichlorobenzamido)-5-hydroxy-6-((2-methoxyphenyl)diazenyl)-1,7-naphthalenedisulfonic acid
- IUPAC
- 4-[(2,4-dichlorobenzoyl)amino]-5-hydroxy-6-[(2-methoxyphenyl)diazenyl]naphthalene-1,7-disulfonic acid
Names & synonyms
DTXSID00863798713068-98-54-(2,4-Dichlorobenzamido)-5-hydroxy-6-((2-methoxyphenyl)diazenyl)-1,7-naphthalenedisulfonic acid4-(2,4-Dichlorobenzamido)-5-hydroxy-6-[(2-methoxyphenyl)diazenyl]naphthalene-1,7-disulfonic acid
Database identifiers
- CAS
713068-98-5- PubChem CID
- 80869
- DTXSID
DTXSID00863798- Nikkaji
- J330.271G
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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