(2E)-5-ethenyl-2-[3-(5-ethenyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)cyclopent-2-en-1-ylidene]-3-ethyl-1,3-benzoxazole iodide

Systemtic Name: (2E)-5-ethenyl-2-[3-(5-ethenyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)cyclopent-2-en-1-ylidene]-3-ethyl-1,3-benzoxazole iodide Openeye Name: (2E)-3-ethyl-2-[3-(3-ethyl-5-vinyl-1,3-benzothiazol-3-ium-2-yl)cyclopent-2-en-1-ylidene]-5-vinyl-1,3-benzoxazole iodide CAS Name: (2E)-5-ethenyl-2-[3-(5-ethenyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)-1-cyclopent-2-enylidene]-3-ethyl-1,3-benzoxazole iodide IUPAC Name: (2E)-5-ethenyl-2-[3-(5-ethenyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)cyclopent-2-en-1-ylidene]-3-ethyl-1,3-benzoxazole iodide Traditional Name: (2E)-3-ethyl-2-[3-(3-ethyl-5-vinyl-1,3-benzothiazol-3-ium-2-yl)cyclopent-2-en-1-ylidene]-5-vinyl-1,3-benzoxazole iodide Formula: C27H27IN2OS MolecularWeight: 554.48555

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C=C)OC1=C3CCC(=C3)C4=[N+](C5=C(S4)C=CC(=C5)C=C)CC.[I-]

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)C=C)O/C1=C/3\CCC(=C3)C4=[N+](C5=C(S4)C=CC(=C5)C=C)CC.[I-]

InChI

InChI=1S/C27H27N2OS.HI/c1-5-18-9-13-24-22(15-18)28(7-3)26(30-24)20-11-12-21(17-20)27-29(8-4)23-16-19(6-2)10-14-25(23)31-27;/h5-6,9-10,13-17H,1-2,7-8,11-12H2,3-4H3;1H/q+1;/p-1