2-{(E)-2-[(3E)-3-[(2Z)-2-(3,3-Dimethyl-1-Propyl-1,3-Dihydro-2H-Indol-2-Ylidene)Ethylidene]-2-(Phenylsulfanyl)-1-Cyclohexen-1-Yl]Vinyl}-3,3-Dimethyl-1-Propyl-3H-Indolium Perchlorate
[CAS# 207399-10-8]

Identification

• Name: 2-{(E)-2-[(3E)-3-[(2Z)-2-(3,3-Dimethyl-1-Propyl-1,3-Dihydro-2H-Indol-2-Ylidene)Ethylidene]-2-(Phenylsulfanyl)-1-Cyclohexen-1-Yl]Vinyl}-3,3-Dimethyl-1-Propyl-3H-Indolium Perchlorate
• Synonyms: 2-[2-[3-[(1,3-Dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene]-2-(phenylthio)-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindolium perchlorate; 3H-INDOLIUM, 2-[2-[3-[2-(1,3-DIHYDRO-3,3-DIMETHYL-1-PROPYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-2-(PHENYLTHIO)-1-CYCLOHEXEN-1-YL]ETHENYL]-3,3-DIMETHYL-1-PROPYL-, PERCHLORATE (1:1); IR-792 perchlorate
• Molecular Formula: C₄₂H₄₉ClN₂O₄S
• Molecular Weight: 713.37
• CAS Registry Number: 207399-10-8
• SMILES: [O-]Cl(=O)(=O)=O.S(c1ccccc1)/C/4=C(\C=C\C3=[N+](\c2ccccc2C3(C)C)CCC)CCCC\4=C\C=C6/N(c5ccccc5C6(C)C)CCC
• InChI: 1S/C42H49N2S.ClHO4/c1-7-29-43-36-23-14-12-21-34(36)41(3,4)38(43)27-25-31-17-16-18-32(40(31)45-33-19-10-9-11-20-33)26-28-39-42(5,6)35-22-13-15-24-37(35)44(39)30-8-2;2-1(3,4)5/h9-15,19-28H,7-8,16-18,29-30H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
• InChIKey: IJYUKSSLCNLVNM-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)