2-[(E)-2-{(3E)-2-Chloro-3-[(2Z)-2-(3-Ethyl-5-Phenyl-1,3-Benzoxazol-2(3H)-Ylidene)Ethylidene]-1-Cyclopenten-1-Yl}Vinyl]-3-Ethyl-5-Phenyl-1,3-Benzoxazol-3-Ium Iodide
[CAS# 121556-56-7]

Identification

• Name: 2-[(E)-2-{(3E)-2-Chloro-3-[(2Z)-2-(3-Ethyl-5-Phenyl-1,3-Benzoxazol-2(3H)-Ylidene)Ethylidene]-1-Cyclopenten-1-Yl}Vinyl]-3-Ethyl-5-Phenyl-1,3-Benzoxazol-3-Ium Iodide
• Synonyms: 2-[(E)-2-(2-chloro-3-{(E)-2-[3-ethyl-5-phenyl-1,3-benzoxazol-2(3H)-ylidene]ethylidene}-1-cyclopenten-1-yl)ethenyl]-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium iodide; Benzoxazolium, 2-[2-[2-chloro-3-[(3-ethyl-5-phenyl-2(3H)-benzoxazolylidene)ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-ethyl-5-phenyl-, iodide (9CI)
• Molecular Formula: C₃₉H₃₄ClIN₂O₂
• Molecular Weight: 725.06
• CAS Registry Number: 121556-56-7
• SMILES: CC[n+]1c2cc(ccc2oc1C=CC3=C(C(=CC=C4N(c5cc(ccc5O4)c6ccccc6)CC)CC3)Cl)c7ccccc7.[I-]
• InChI: 1S/C39H34ClN2O2.HI/c1-3-41-33-25-31(27-11-7-5-8-12-27)17-21-35(33)43-37(41)23-19-29-15-16-30(39(29)40)20-24-38-42(4-2)34-26-32(18-22-36(34)44-38)28-13-9-6-10-14-28;/h5-14,17-26H,3-4,15-16H2,1-2H3;1H/q+1;/p-1
• InChIKey: FVCRZFDYEXJJLI-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)