Basic information
- CAS
28118-15-2- Standard SMILES
CCC(/C=C1\Oc2ccc(-c3ccccc3)cc2N1CC)=C\c1oc2ccc(-c3ccccc3)cc2[n+]1CC.[Br-]- InChIKey
BUTFUHVAKJPHHB-UHFFFAOYSA-M- Molecular formula
- C35H33BrN2O2
- Average molar mass
- 593.6 g/mol
- Monoisotopic mass
- 592.17254
Overview
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Names & identifiers
- Preferred name
- 3-Ethyl-2-(2-((3-ethyl-5-phenyl-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-5-phenylbenzoxazolium bromide
- IUPAC
- (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole bromide
Names & synonyms
3-Ethyl-2-(2-((3-ethyl-5-phenyl-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-5-phenylbenzoxazolium bromide
Database identifiers
- CAS
28118-15-2- PubChem CID
- 5486571
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 790
Related reactions
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Compound notes
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