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Name |
2-((E)-2-(2-Chloro-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl)ethenyl)-1,3,3-trimethyl-3H-indolium perchlorate |
EINECS | N/A |
CAS No. | 69415-30-1 | Density | N/A |
PSA | 80.52000 | LogP | 8.01150 |
Solubility | N/A | Melting Point |
N/A |
Formula | C31H34ClN2.ClO4 | Boiling Point | N/A |
Molecular Weight | 569.52 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-((E)-2-(2-CHLORO-3-[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOPENTEN-1-YL)ETHENYL)-1,3,3-TRIMETHYL-3H-INDOLIUM PERCHLORATE;3H-INDOLIUM, 2-[2-[2-CHLORO-3-[(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOPENTEN-1-YL]ETHENYL]-1,3,3-TRIMETHYL-, PERCHLORATE;2-((E)-2-(2-Chloro-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl)ethenyl)-1,3,3-trimethyl-3H-indolium perchlorate |
Molecular Structure of 2-((E)-2-(2-Chloro-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl)ethenyl)-1,3,3-trimethyl-3H-indolium perchlorate (CAS No.69415-30-1):
Molecular Formula: C31H34Cl2N2O4
Molecular Weight: 569.5187
CAS No: 69415-30-1
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 80.52 Å2
Systematic Name: 2-[(E)-2-[(3E)-2-Chloro-3-[(2Z)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]-1-cyclopentenyl]vinyl]-1,3,3-trimethyl-indol-1-ium perchlorate
InChI: InChI=1/C31H34ClN2.ClHO4/c1-30(2)23-11-7-9-13-25(23)33(5)27(30)19-17-21-15-16-22(29(21)32)18-20-28-31(3,4)24-12-8-10-14-26(24)34(28)6;2-1(3,4)5/h7-14,17-20H,15-16H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKey: XXCUTOBZBHPLLG-REWHXWOFAL
Std. InChI: InChI=1S/C31H34ClN2.ClHO4/c1-30(2)23-11-7-9-13-25(23)33(5)27(30)19-17-21-15-16-22(29(21)32)18-20-28-31(3,4)24-12-8-10-14-26(24)34(28)6;2-1(3,4)5/h7-14,17-20H,15-16H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
Std. InChIKey: XXCUTOBZBHPLLG-UHFFFAOYSA-M
2-((E)-2-(2-Chloro-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl)ethenyl)-1,3,3-trimethyl-3H-indolium perchlorate (CAS No.69415-30-1), its synonyms are 2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl-ethenyl]-1,3,3-trimethyl-3H-indolium perchlorate ; 3H-Indolium, 2-[2-[2-chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethyl-, perchlorate (9CI) .