Basic information
- CAS
988-93-2- Standard SMILES
CCN1\C(=C/C=C/C=C/c2[se]c3ccccc3[n+]2CC)[Se]c2ccccc21.CCOS(=O)(=O)[O-]- InChIKey
TVODQOCUGBJPPZ-UHFFFAOYSA-M- Molecular formula
- C25H28N2O4SSe2
- Average molar mass
- 610.5 g/mol
- Monoisotopic mass
- 612.01002
Overview
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Names & identifiers
- Preferred name
- Ethyl 3-ethyl-2-(5-(3-ethyl-3H-benzoselenazol-2-ylidene)penta-1,3-dienyl)benzoselenazolium sulphate
- IUPAC
- (2E)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole;ethyl sulfate
Names & synonyms
Ethyl 3-ethyl-2-(5-(3-ethyl-3H-benzoselenazol-2-ylidene)penta-1,3-dienyl)benzoselenazolium sulphate
Database identifiers
- CAS
988-93-2- PubChem CID
- 5484464
Properties
Computed structural properties
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 640
Related reactions
0 records
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Compound notes
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