(5E)-5-[(2Z,4Z)-3-Ethoxy-4-(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-buten-1-ylidene]-3-ethyl-2-[(Z)-(3-ethyl-4,5-diphenyl-1,3-thiazol-2(3H)-ylidene)methyl]-4-oxo-4,5-dihydro-1,3-thiazol-3-ium iodide
[CAS# 105176-22-5]

Identification

• Name: (5E)-5-[(2Z,4Z)-3-Ethoxy-4-(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-buten-1-ylidene]-3-ethyl-2-[(Z)-(3-ethyl-4,5-diphenyl-1,3-thiazol-2(3H)-ylidene)methyl]-4-oxo-4,5-dihydro-1,3-thiazol-3-ium iodide
• Synonyms: 5-[3-Ethoxy-4-(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)-2-butenylidene]-3-ethyl-2-[(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)methyl]-4,5-dihydro-4-oxothiazolium iodide; 386200_ALDRICH
• Molecular Formula: C₃₉H₄₀IN₃O₂S₃
• Molecular Weight: 805.85
• CAS Registry Number: 105176-22-5
• SMILES: [I-].CCN5C(\c1ccccc1)=C(/S\C5=C/C=4S\C(=C\C=C(/OCC)\C=C3/Sc2ccc(C)cc2N3CC)C(=O)[N+]=4CC)c6ccccc6
• InChI: 1S/C39H40N3O2S3.HI/c1-6-40-31-24-27(5)20-22-32(31)45-34(40)25-30(44-9-4)21-23-33-39(43)42(8-3)36(46-33)26-35-41(7-2)37(28-16-12-10-13-17-28)38(47-35)29-18-14-11-15-19-29;/h10-26H,6-9H2,1-5H3;1H/q+1;/p-1/b30-21-,33-23+,34-25-
• InChIKey: RRGPZNSNORJTEB-VRAKNKJBSA-M

Properties

• Refractive index: (Cal.)