2-((E)-2-(2-CHLORO-3-[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL)ETHENYL)-1,3,3-TRIMETHYL-3H-INDOLIUM 4-METHYLBENZENESULFONATE

CAS No.
205744-92-9
CCD No.
CCD00620366
Formula
C32 H38 Cl N2 . C7 H7 O3 S
MolWeight
657.315

Basic Information

Product Name: 2-((E)-2-(2-CHLORO-3-[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL)ETHENYL)-1,3,3-TRIMETHYL-3H-INDOLIUM 4-METHYLBENZENESULFONATE
CAS: 205744-92-9
English Synonyms: 2-((E)-2-(2-CHLORO-3-[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL)ETHENYL)-1,3,3-TRIMETHYL-3H-INDOLIUM 4-METHYLBENZENESULFONATE
MDL Number.: MFCD08061637
H bond acceptor: 2
H bond donor: 0
Smile: Cc1ccc(cc1)S(=O)(=O)[O-].CC1(c2ccccc2[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=C(N4C)CCC=C5)(C)C)/CCC3)Cl)C)C
InChi: InChI=1S/C32H38ClN2.C7H8O3S/c1-31(2)24-14-7-9-16-26(24)34(5)28(31)20-18-22-12-11-13-23(30(22)33)19-21-29-32(3,4)25-15-8-10-17-27(25)35(29)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-9,14-16,18-21H,10-13,17H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChiKey: InChIKey=TUGANDCWEAKMMR-UHFFFAOYSA-M

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