(2Z)-3-ethyl-2-[(2E)-2-[3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-phenylcyclohex-2-en-1-ylidene]ethylidene]-1,3-benzothiazole iodide
Basic information
- CAS
70446-38-7- Standard SMILES
CCN1/C(=C/C=C2\CCCC(/C=C/c3sc4ccccc4[n+]3CC)=C2c2ccccc2)Sc2ccccc21.[I-]- InChIKey
XKIALOTZDXIEPK-UHFFFAOYSA-M- Molecular formula
- C34H33IN2S2
- Average molar mass
- 660.7 g/mol
- Monoisotopic mass
- 660.11299
Names & identifiers
- Preferred name
- (2Z)-3-ethyl-2-[(2E)-2-[3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-phenylcyclohex-2-en-1-ylidene]ethylidene]-1,3-benzothiazole iodide
- IUPAC
- (2Z)-3-ethyl-2-[(2E)-2-[3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-phenylcyclohex-2-en-1-ylidene]ethylidene]-1,3-benzothiazole iodide
- English name
- 3-Ethyl-2-[(E)-2-(3-((E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene)-2-phenyl-1-cyclohexen-1-yl)ethenyl]-1,3-benzothiazol-3-ium iodide
- Molecular formula
- C34H33IN2S2
- Molecular weight
- 660.67
Names & synonyms
70446-38-7DTXSID30694673AKOS0008141343-ETHYL-2-[(E)-2-(3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2-PHENYL-1-CYCLOHEXEN-1-YL)ETHENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE3-Ethyl-2-(2-{6-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-3,4,5,6-tetrahydro[1,1'-biphenyl]-2-yl}ethen-1-yl)-1,3-benzothiazol-3-ium iodide3-Ethyl-2-(2-{6-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene][3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl}ethenyl)-1,3-benzothiazol-3-ium iodideBENZOTHIAZOLIUM, 3-ETHYL-2-[2-[3-[(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)ETHYLIDENE]-2-PHENYL-1-CYCLOHEXEN-1-YL]ETHENYL]-, IODIDE
Database identifiers
- CAS
70446-38-7- PubChem CID
- 12464487
- DTXSID
DTXSID30694673
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 880
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…