3-ETHYL-2-[(1E,3E)-4-(3-((E,2E)-4-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]-2-BUTENYLIDENE)-2-METHYL-1-CYCLOHEXEN-1-YL)-1,3-BUTADIENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE

CAS No.
115920-77-9
CCD No.
CCD00594458
Formula
C33 H35 N2 S2 . I
MolWeight
650.685

Basic Information

Product Name: 3-ETHYL-2-[(1E,3E)-4-(3-((E,2E)-4-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]-2-BUTENYLIDENE)-2-METHYL-1-CYCLOHEXEN-1-YL)-1,3-BUTADIENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
CAS: 115920-77-9
English Synonyms: 3-ETHYL-2-[(1E,3E)-4-(3-((E,2E)-4-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]-2-BUTENYLIDENE)-2-METHYL-1-CYCLOHEXEN-1-YL)-1,3-BUTADIENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
MDL Number.: MFCD07433787
H bond acceptor: 2
H bond donor: 0
Smile: CC[n+]1c2ccccc2sc1/C=C/C=C/C3=C(/C(=C/C=C/C=C\4/N(c5ccccc5S4)CC)/CCC3)C.[I-]
InChi: InChI=1S/C33H35N2S2.HI/c1-4-34-28-19-8-10-21-30(28)36-32(34)23-12-6-15-26-17-14-18-27(25(26)3)16-7-13-24-33-35(5-2)29-20-9-11-22-31(29)37-33;/h6-13,15-16,19-24H,4-5,14,17-18H2,1-3H3;1H/q+1;/p-1
InChiKey: InChIKey=DALNQOMSTNQHJB-UHFFFAOYSA-M

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