Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl)-5,6-dimethyl-, iodide (1:1)
Basic information
- CAS
52078-66-7- Standard SMILES
CCN1C(=CC=Cc2oc3cc(C)c(C)cc3[n+]2CC)Oc2cc(C)c(C)cc21.[I-]- InChIKey
XFGPBUWHEYUAMX-UHFFFAOYSA-M- Molecular formula
- C25H29IN2O2
- Average molar mass
- 516.4 g/mol
- Monoisotopic mass
- 516.12738
Names & identifiers
- Preferred name
- Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl)-5,6-dimethyl-, iodide (1:1)
- IUPAC
- 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5,6-dimethyl-1,3-benzoxazole iodide
Names & synonyms
52078-66-7EINECS 257-642-1DTXSID108859815,6,5',6'-Tetramethyl-3,3'-diethyl-2,2'-oxacarbocyanine iodideBenzoxazolium, 3-ethyl-2-(3-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)-1-propenyl)-5,6-dimethyl-, iodideBenzoxazolium, 3-ethyl-2-(3-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl)-5,6-dimethyl-, iodide (1:1)Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-5,6-dimethyl-, iodide (1:1)Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)-1-propenyl]-5,6-dimethyl-, iodideRefChem:118734DTXCID101025333XFGPBUWHEYUAMX-UHFFFAOYSA-MNS00060768
Show more names
3-Ethyl-2-(3-(3-ethyl-5,6-dimethyl-3H-benzoxazol-2-ylidene)prop-1-enyl)-5,6-dimethylbenzoxazolium iodide3-Ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-5,6-dimethyl-1,3-benzoxazol-3-ium iodide
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 580
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoxazolium, 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-5,6-dimethyl-, iodide (1:1): INACTIVE
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Compound notes
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