3-BUTYL-2-(2-[3-[2-(3-BUTYL-1,1-DIMETHYL-1,3-DIHYDROBENZO[E]INDOL-2-YLIDENE)ETHYLIDENE]-2-CHLORO-CYCLOHEX-1-ENYL]VINYL)-1,1-DIMETHYL-1H-BENZO[E]INDOLIUM HEXAFLUOROPHOSPHATE

CAS No.
885691-99-6
CCD No.
CCD03027520
Formula
C46 H54 Cl N2 . F6 P
MolWeight
815.362

Basic Information

Product Name: 3-BUTYL-2-(2-[3-[2-(3-BUTYL-1,1-DIMETHYL-1,3-DIHYDROBENZO[E]INDOL-2-YLIDENE)ETHYLIDENE]-2-CHLORO-CYCLOHEX-1-ENYL]VINYL)-1,1-DIMETHYL-1H-BENZO[E]INDOLIUM HEXAFLUOROPHOSPHATE
CAS: 885691-99-6
English Synonyms: 3-BUTYL-2-(2-[3-[2-(3-BUTYL-1,1-DIMETHYL-1,3-DIHYDROBENZO[E]INDOL-2-YLIDENE)ETHYLIDENE]-2-CHLORO-CYCLOHEX-1-ENYL]VINYL)-1,1-DIMETHYL-1H-BENZO[E]INDOLIUM HEXAFLUOROPHOSPHATE
MDL Number.: MFCD16620519
H bond acceptor: 2
H bond donor: 0
Smile: CCCCN1c2ccc3ccccc3c2[CH+](C1/C=C/C4=C(/C(=C/C=C\5/C(c6c7ccccc7ccc6N5CCCC)(C)C)/CCC4)Cl)(C)C.F[P-](F)(F)(F)(F)F
InChi: InChI=1S/C46H54ClN2.F6P/c1-7-9-30-48-38-26-22-32-16-11-13-20-36(32)42(38)45(3,4)40(48)28-24-34-18-15-19-35(44(34)47)25-29-41-46(5,6)43-37-21-14-12-17-33(37)23-27-39(43)49(41)31-10-8-2;1-7(2,3,4,5)6/h11-14,16-17,20-29,40,45H,7-10,15,18-19,30-31H2,1-6H3;/q+1;-1/b28-24+,35-25+,41-29-;
InChiKey: InChIKey=NBOFEERQNVWLHQ-FUUOPHIESA-N

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