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3-ethyl-2-[(E)-{3-[(1E,3E,5Z)-5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-5,5-dimethylcyclohex-2-en-1-ylidene}methyl]-1,3-benzothiazol-3-ium

Catalog ID
STK792971
SMILES CC[n+]1c(/C=C\2/C=C(/C=C/C=C/C=c/3\sc4c(n3CC)cccc4)CC(C2)(C)C)sc2c1cccc2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C32H35N2S2 MW 511.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N2S2/c1-5-33-26-15-10-12-17-28(26)35-30(33)19-9-7-8-14-24-20-25(23-32(3,4)22-24)21-31-34(6-2)27-16-11-13-18-29(27)36-31/h7-21H,5-6,22-23H2,1-4H3/q+1
InChIKey
RBBJPNDDQCXWCS-UHFFFAOYSA-N
Synonyms

(2Z)3ETHYL2(((3E)3((2E4E)5(3ETHYL13BENZOTHIAZOL3IUM2YL)PENTA24DIENYLIDENE)55DIMETHYLCYCLOHEXEN1YL)METHYLIDENE)13BENZOTHIAZOLE
3ETHYL2((3(5(3ETHYL13BENZOTHIAZOL3IUM2YL)PENTA24DIENYLIDENE)55DIMETHYLCYCLOHEXEN1YL)METHYLIDENE)13BENZOTHIAZOLE
3ethyl2((3(5(3ethylbenzo(d)thiazol2(3H)ylidene)penta13dien1yl)55dimethylcyclohex2en1ylidene)methyl)benzo(d)thiazol3iumiodide
3ethyl2((E)(3((1E3E5Z)5(3ethyl13benzothiazol2(3H)ylidene)penta13dien1yl)55dimethylcyclohex2en1ylidene)methyl)13benzothiazol3ium
3ETHYL2(5(3((3ETHYLBENZOTHIAZOL2(3H)YLIDENE)METHYL)55DIMETHYL2CYCLOHEXEN1YLIDENE)13PENTADIENYL)BENZOTHIAZOL3IUM
CC(n+)1c(C=C2C=C(C=CC=CC=c3sc4c(n3CC)cccc4)CC(C2)(C)C)sc2c1cccc2
CC(n+)1c(C=C2C=C(C=CC=CC=c3sc4c(n3CC)cccc4)CC(C2)(C)C)sc2c1cccc2(I)
CCN1C2=CC=CC=C2SC1=CC3=CC(=CC=CC=CC4=(N+)(C5=CC=CC=C5S4)CC)CC(C3)(C)C
InChI=1SC32H35N2S2c1533261510121728(26)3530(33)1997814242025(2332(34)2224)213134(62)271611131829(27)3631h721H562223H214H3q+1
MFCD00625782
ZINC000009034201
ZINC09034201
ZINC9034201

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Available files

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