2-[(1E,3E)-3-{5,5-Dimethyl-3-[(2E,4E)-4-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-2-buten-2-yl]-2-cyclohexen-1-ylidene}-1-buten-1-yl]-1,1,3-trimethyl-1H-benzo[e]indolium perchlorate
[CAS# 92569-99-8]

Identification

• Name: 2-[(1E,3E)-3-{5,5-Dimethyl-3-[(2E,4E)-4-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-2-buten-2-yl]-2-cyclohexen-1-ylidene}-1-buten-1-yl]-1,1,3-trimethyl-1H-benzo[e]indolium perchlorate
• Synonyms: 1H-Benz[e]indolium, 2-[3-[3-[3-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)-1-methyl-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-butenyl]-1,1,3-trimethyl-, perchlorate (9CI); 2-((E)-3-{5,5-dimethyl-3-[(E)-1-methyl-3-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1-propenyl]-2-cyclohexen-1-ylidene}-1-butenyl)-1,1,3-trimethyl-1H-benzo[e]indolium perchlorate
• Molecular Formula: C₄₆H₅₁ClN₂O₄
• Molecular Weight: 731.36
• CAS Registry Number: 92569-99-8
• SMILES: CC(=C1CC(CC(=C1)C(=CC=C2C(c3c4ccccc4ccc3N2C)(C)C)C)(C)C)C=CC5=[N+](c6ccc7ccccc7c6C5(C)C)C.[O-]Cl(=O)(=O)=O
• InChI: 1S/C46H51N2.ClHO4/c1-30(19-25-40-45(5,6)42-36-17-13-11-15-32(36)21-23-38(42)47(40)9)34-27-35(29-44(3,4)28-34)31(2)20-26-41-46(7,8)43-37-18-14-12-16-33(37)22-24-39(43)48(41)10;2-1(3,4)5/h11-27H,28-29H2,1-10H3;(H,2,3,4,5)/q+1;/p-1
• InChIKey: DPTZARWGDXXKAU-UHFFFAOYSA-M