5-[(2-Ethoxy-2-Oxoethoxy)Carbonyl]-1,3,3-Trimethyl-2-[2-[5-Nitro-1-[2-Oxo-2-(2-Oxopropoxy)Ethyl]-2-Phenyl-1H-Indol-3-Yl]Vinyl]-3H-Indolium Iodide
[CAS# 85029-83-0]

Identification

• Name: 5-[(2-Ethoxy-2-Oxoethoxy)Carbonyl]-1,3,3-Trimethyl-2-[2-[5-Nitro-1-[2-Oxo-2-(2-Oxopropoxy)Ethyl]-2-Phenyl-1H-Indol-3-Yl]Vinyl]-3H-Indolium Iodide
• Synonyms: (2-Ethoxy-2-Oxo-Ethyl) (2E)-2-[(2E)-2-[1-(2-Acetonyloxy-2-Oxo-Ethyl)-5-Nitro-2-Phenyl-Indol-1-Ium-3-Ylidene]Ethylidene]-1,3,3-Trimethyl-Indoline-5-Carboxylate Iodide; (2E)-2-[(2E)-2-[1-(2-Acetonyloxy-2-Oxoethyl)-5-Nitro-2-Phenyl-3-Indol-1-Iumylidene]Ethylidene]-1,3,3-Trimethyl-5-Indolinecarboxylic Acid (2-Ethoxy-2-Oxoethyl) Ester Iodide; (2E)-2-[(2E)-2-[1-(2-Acetonyloxy-2-Keto-Ethyl)-5-Nitro-2-Phenyl-Indol-1-Ium-3-Ylidene]Ethylidene]-1,3,3-Trimethyl-Indoline-5-Carboxylic Acid (2-Ethoxy-2-Keto-Ethyl) Ester Iodide
• Molecular Formula: C₃₇H₃₆IN₃O₉
• Molecular Weight: 793.61
• CAS Registry Number: 85029-83-0
• EINECS: 285-108-8
• SMILES: C1=C(C=CC2=C1C(C(=[N+]2C)C=CC3=C([N](C4=C3C=C([N+]([O-])=O)C=C4)CC(OCC(=O)C)=O)C5=CC=CC=C5)(C)C)C(OCC(OCC)=O)=O.[I-]
• InChI: 1S/C37H36N3O9.HI/c1-6-47-34(43)22-49-36(44)25-12-15-31-29(18-25)37(3,4)32(38(31)5)17-14-27-28-19-26(40(45)46)13-16-30(28)39(20-33(42)48-21-23(2)41)35(27)24-10-8-7-9-11-24;/h7-19H,6,20-22H2,1-5H3;1H/q+1;/p-1
• InChIKey: RBJZXYZTXWYEKD-UHFFFAOYSA-M