Basic information
- CAS
74039-02-4- Standard SMILES
Nc1ccc(-c2ccc(-n3nc4ccc5c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc5c4n3)cc2)cc1S(=O)(=O)[O-].[K+].[K+].[K+]- InChIKey
ATBGUFDAYYBFEQ-UHFFFAOYSA-K- Molecular formula
- C22H13K3N4O9S3
- Average molar mass
- 690.9 g/mol
- Monoisotopic mass
- 689.875586
Names & identifiers
- Preferred name
- 2h-naphtho(1,2-d)triazole-6,8-disulfonic acid, 2-(4'-amino-3'-sulfo-1,1'-biphenyl-4-yl)-, tripotassium salt
- IUPAC
- tripotassium;2-[4-(4-amino-3-sulfonatophenyl)phenyl]benzo[e]benzotriazole-6,8-disulfonate
Names & synonyms
Sulfo-1-triazolSulfo-1-triazol [Czech]2H-Naphtho(1,2-d)triazole-6,8-disulfonic acid, 2-(4'-amino-3'-sulfo-1,1'-biphenyl-4-yl)-, tripotassium salt74039-02-4DTXSID102249122-(4'-Aminoxenyl)nafto-alpha,beta-triazol-6,8,3'-trisulfonan draselny [Czech]2-(4'-Aminoxenyl)nafto-alpha,beta-triazol-6,8,3'-trisulfonan draselnyRefChem:268772DTXCID40147403Tripotassium 2-(4'-amino-3'-sulfonato[1,1'-biphenyl]-4-yl)-2H-naphtho[1,2-d][1,2,3]triazole-6,8-disulfonate
Database identifiers
- CAS
74039-02-4- PubChem CID
- 52909
- DTXSID
DTXSID10224912
Properties
Computed structural properties
- Topological polar surface area
- 253 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 2
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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