Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-6-methoxy-2(3H)-benzoxazolylidene)-1-propenyl)-6-methoxy-, iodide
Basic information
- CAS
74042-93-6- Standard SMILES
CCN1/C(=C/C=C/c2oc3cc(OC)ccc3[n+]2CC)Oc2cc(OC)ccc21.[I-]- InChIKey
MFIGXPXHSLIGLF-UHFFFAOYSA-M- Molecular formula
- C23H25IN2O4
- Average molar mass
- 520.4 g/mol
- Monoisotopic mass
- 520.0859
Names & identifiers
- Preferred name
- Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-6-methoxy-2(3H)-benzoxazolylidene)-1-propenyl)-6-methoxy-, iodide
- IUPAC
- (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-6-methoxy-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-6-methoxy-1,3-benzoxazole iodide
Names & synonyms
74042-93-6Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-6-methoxy-2(3H)-benzoxazolylidene)-1-propenyl)-6-methoxy-, iodide
Database identifiers
- CAS
74042-93-6- PubChem CID
- 5488359
Properties
Computed structural properties
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 559
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Compound notes
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