Stilbene naphthotriazole
Basic information
- CAS
4434-38-2- Standard SMILES
O=S(=O)(O)c1cc(-n2nc3ccc4ccccc4c3n2)ccc1/C=C/c1ccccc1- InChIKey
NERFNEXXWTXEMR-ZHACJKMWSA-N- Molecular formula
- C24H17N3O3S
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.09906259
Names & identifiers
- Preferred name
- Stilbene naphthotriazole
- IUPAC
- 5-benzo[e]benzotriazol-2-yl-2-[(E)-2-phenylethenyl]benzenesulfonic acid
Names & synonyms
Stilbene naphthotriazole4434-38-2V2EE3T531U5-(2H-Naphtho[1,2-d][1,2,3]triazol-2-yl)-2-styrylbenzenesulfonic acidfluorescent brightener 46 free acidBenzenesulfonic acid, 5-(2H-naphtho(1,2-d)triazole-2-yl)-2-(2-phenylethenyl)-UNII-V2EE3T531U5-benzo[e]benzotriazol-2-yl-2-[(E)-2-phenylethenyl]benzenesulfonic acidSCHEMBL1033597C.I. FLUORESCENT BRIGHTENING AGENT 46FLUORESCENT BRIGHTENING AGENT 46 FREE ACIDQ27291444
Show more names
C.I. FLUORESCENT BRIGHTENING AGENT 46 FREE ACID2-STILBENESULFONIC ACID, 4-(2H-NAPHTHO(1,2-D)TRIAZOL-2-YL)-BENZENESULFONIC ACID, 5-(2H-NAPHTHO(1,2-D)TRIAZOL-2-YL)-2-((1E)-2-PHENYLETHENYL)-BENZENESULFONIC ACID, 5-(2H-NAPHTHO(1,2-D)TRIAZOL-2-YL)-2-(2-PHENYLETHENYL)-
Database identifiers
- CAS
4434-38-2- PubChem CID
- 1616136
- UNII
- V2EE3T531U
- Nikkaji
- J672.129J
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 746
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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