Basic information
- CAS
74477-90-0- Standard SMILES
Cc1cc(N=Nc2c([O-])c(C(=O)O)cc3ccccc23)c(S(=O)(=O)[O-])cc1Cl.[NH4+].[NH4+]- InChIKey
AODOOWKSUIRTRE-UHFFFAOYSA-N- Molecular formula
- C18H19ClN4O6S
- Average molar mass
- 454.9 g/mol
- Monoisotopic mass
- 454.0713832
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxylic acid, 4-[(4-chloro-5-methyl-2-sulfophenyl)azo]-3-hydroxy-, diammonium salt
- IUPAC
- diazanium;2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]-5-chloro-4-methylbenzenesulfonate
Names & synonyms
DTXSID808604022-Naphthalenecarboxylic acid, 4-[(4-chloro-5-methyl-2-sulfophenyl)azo]-3-hydroxy-, diammonium salt74477-90-0
Database identifiers
- CAS
74477-90-0- PubChem CID
- 165367697
- DTXSID
DTXSID80860402
Properties
Computed structural properties
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 698
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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