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CAS No.: | 92569-97-6 |
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Name: | 2-((E)-3-(5,5-DIMETHYL-3-[(E)-1-METHYL-3-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1-PROPENYL]-2-CYCLOHEXEN-1-YLIDENE)-1-BUTENYL)-1,3,3-TRIMETHYL-3H-INDOLIUM PERCHLORATE |
Molecular Structure: | |
Formula: | C38H47ClN2O4 |
Molecular Weight: | 631.24 |
Synonyms: | 2-((E)-3-(5,5-DIMETHYL-3-[(E)-1-METHYL-3-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1-PROPENYL]-2-CYCLOHEXEN-1-YLIDENE)-1-BUTENYL)-1,3,3-TRIMETHYL-3H-INDOLIUM PERCHLORATE;3H-INDOLIUM, 2-[3-[3-[3-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-1-METHYL-1-PROPENYL]-5,5-DIMETHYL-2-CYCLOHEXEN-1-YLIDENE]-1-BUTENYL]-1,3,3-TRIMETHYL-, PERCHLORATE;2-((E)-3-(5,5-Dimethyl-3-[(E)-1-methyl-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propenyl]-2-cyclohexen-1-ylidene)-1-butenyl)-1,3,3-trimethyl-3H-indolium perchlorate |
Density: | g/cm3 |
Boiling Point: | °Cat760mmHg |
Flash Point: | °C |
PSA: | 80.52000 |
LogP: | 9.80760 |
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Molecular Structure of 2-((E)-3-(5,5-Dimethyl-3-[(E)-1-methyl-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propenyl]-2-cyclohexen-1-ylidene)-1-butenyl)-1,3,3-trimethyl-3H-indolium perchlorate (CAS No.92569-97-6):
Molecular Formula: C38H47ClN2O4
Molecular Weight: 631.2438
CAS No: 92569-97-6
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 80.52 Å2
Systematic Name: 2-[(E,3E)-3-[5,5-Dimethyl-3-[(E,3E)-1-methyl-3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]cyclohex-2-en-1-ylidene]but-1-enyl]-1,3,3-trimethyl-indol-1-ium perchlorate
InChI: InChI=1/C38H47N2.ClHO4/c1-26(19-21-34-37(5,6)30-15-11-13-17-32(30)39(34)9)28-23-29(25-36(3,4)24-28)27(2)20-22-35-38(7,8)31-16-12-14-18-33(31)40(35)10;2-1(3,4)5/h11-23H,24-25H2,1-10H3;(H,2,3,4,5)/q+1;/p-1
InChIKey: GHRZFFMTTAJQCR-REWHXWOFAW
Std. InChI: InChI=1S/C38H47N2.ClHO4/c1-26(19-21-34-37(5,6)30-15-11-13-17-32(30)39(34)9)28-23-29(25-36(3,4)24-28)27(2)20-22-35-38(7,8)31-16-12-14-18-33(31)40(35)10;2-1(3,4)5/h11-23H,24-25H2,1-10H3;(H,2,3,4,5)/q+1;/p-1
Std. InChIKey: GHRZFFMTTAJQCR-UHFFFAOYSA-M
2-((E)-3-(5,5-Dimethyl-3-[(E)-1-methyl-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propenyl]-2-cyclohexen-1-ylidene)-1-butenyl)-1,3,3-trimethyl-3H-indolium perchlorate (CAS No.92569-97-6), its synonym is 3H-Indolium, 2-[3-[3-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-methyl-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-butenyl]-1,3,3-trimethyl-, perchlorate (9CI) .