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Cas Database |
| Name |
2-[(1E,3E)-5-(3,3-Dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indolium iodide |
EINECS | N/A |
| CAS No. | 53213-98-2 | Density | N/A |
| PSA | 6.25000 | LogP | 4.70470 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C31H39IN2 | Boiling Point | N/A |
| Molecular Weight | 578.65 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-[5-(1,3-Dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indolium iodide; |
Article Data | 2 |
2-[(1E,3E)-5-(3,3-Dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indolium iodide Specification
The CAS register number of 2-[(1E,3E)-5-(3,3-Dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indolium iodide is 53213-98-2. It also can be called as 2-[5-(1,3-Dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indolium iodide and the systematic name about this chemical is 2-[(1E,3E,5E)-5-(3,3-dimethyl-1-propyl-indolin-2-ylidene)penta-1,3-dienyl]-3,3-dimethyl-1-propyl-indol-1-ium iodide.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCN1c2ccccc2C(C1=CC=CC=CC3=[N+](c4ccccc4C3(C)C)CCC)(C)C.[I-]
(2)InChI: InChI=1/C31H39N2.HI/c1-7-22-32-26-18-14-12-16-24(26)30(3,4)28(32)20-10-9-11-21-29-31(5,6)25-17-13-15-19-27(25)33(29)23-8-2;/h9-21H,7-8,22-23H2,1-6H3;1H/q+1;/p-1
(3)InChIKey: WBVUIFCYMYKOMJ-REWHXWOFAL
(4)Std. InChI: InChI=1S/C31H39N2.HI/c1-7-22-32-26-18-14-12-16-24(26)30(3,4)28(32)20-10-9-11-21-29-31(5,6)25-17-13-15-19-27(25)33(29)23-8-2;/h9-21H,7-8,22-23H2,1-6H3;1H/q+1;/p-1
(5)Std. InChIKey: WBVUIFCYMYKOMJ-UHFFFAOYSA-M
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