Basic information
- CAS
73398-81-9- Standard SMILES
O=C1NC(=O)C(N=Nc2ccc(C=Cc3ccc(-n4nc5cc(S(=O)(=O)[O-])c6ccccc6c5n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C(=O)N1.[Na+].[Na+].[Na+]- InChIKey
AMPKWFMDRHLIFQ-UHFFFAOYSA-K- Molecular formula
- C28H16N7Na3O12S3
- Average molar mass
- 807.6 g/mol
- Monoisotopic mass
- 806.97121534
Names & identifiers
- Preferred name
- 2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-, trisodium salt
- IUPAC
- trisodium;2-[3-sulfonato-4-[2-[2-sulfonato-4-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]ethenyl]phenyl]benzo[e]benzotriazole-5-sulfonate
Names & synonyms
73398-81-92H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-, trisodium saltDTXSID808903402H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-[4-[2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-, sodium salt (1:3)Trisodium 2-[3-sulfonato-4-(2-{2-sulfonato-4-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl}ethen-1-yl)phenyl]-2H-naphtho[1,2-d][1,2,3]triazole-5-sulfonate
Database identifiers
- CAS
73398-81-9- PubChem CID
- 175479
- DTXSID
DTXSID80890340- EC Number
- 277-456-4
Properties
Computed structural properties
- Topological polar surface area
- 327 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 5
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,680
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-[4-[2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-, sodium salt (1:3): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…