(2Z)-3-ethyl-2-[[(3E)-3-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,5-dimethyl-cyclohexen-1-yl]methylidene]-1,3-benzothiazole iodide

Systemtic Name: (2Z)-3-ethyl-2-[[(3E)-3-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,5-dimethyl-cyclohexen-1-yl]methylidene]-1,3-benzothiazole iodide Openeye Name: (2Z)-3-ethyl-2-[[(3E)-3-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,5-dimethyl-cyclohexen-1-yl]methylene]-1,3-benzothiazole iodide CAS Name: (2Z)-3-ethyl-2-[[(3E)-3-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,5-dimethyl-1-cyclohexenyl]methylidene]-1,3-benzothiazole iodide IUPAC Name: (2Z)-3-ethyl-2-[[(3E)-3-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole iodide Traditional Name: (2Z)-3-ethyl-2-[[(3E)-3-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,5-dimethyl-cyclohexen-1-yl]methylene]-1,3-benzothiazole iodide Formula: C32H35IN2S2 MolecularWeight: 638.66817

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=CC(=CC=CC=CC4=[N+](C5=CC=CC=C5S4)CC)CC(C3)(C)C.[I-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=C/C(=C/C=C/C=C/C4=[N+](C5=CC=CC=C5S4)CC)/CC(C3)(C)C.[I-]

InChI

InChI=1S/C32H35N2S2.HI/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;1H/q+1;/p-1