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) .