Basic information
- CAS
71494-74-1- Standard SMILES
O=[N+]([O-])c1cccc(N=Nc2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)c1- InChIKey
DKKOAESQAFUSIQ-UHFFFAOYSA-N- Molecular formula
- C16H11N3O9S2
- Average molar mass
- 453.4 g/mol
- Monoisotopic mass
- 452.99367128
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(3-nitrophenyl)azo]-
- IUPAC
- 3-hydroxy-4-[(3-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(3-nitrophenyl)azo]-71494-74-1CHEMBL2010327SCHEMBL14418377DTXSID10425684NCI60_0040634-[2-(3-Nitrophenyl)hydrazinylidene]-3-oxo-3,4-dihydronaphthalene-2,7-disulfonic acid
Database identifiers
- CAS
71494-74-1- PubChem CID
- 413197
- DTXSID
DTXSID10425684- ChEMBL
CHEMBL2010327
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 875
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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