4,4'-(1,2-Ethanediylbis(imino(phenylmethylidyne)))bis(1-(4-acetylphenyl)-5-thioxo-2,3-Pyrrolidinedione
[CAS# 107887-99-0]

Identification

• Name: 4,4'-(1,2-Ethanediylbis(imino(phenylmethylidyne)))bis(1-(4-acetylphenyl)-5-thioxo-2,3-Pyrrolidinedione
• Synonyms: (4E)-1-(3-Acetylphenyl)-4-[[2-[[(E)-[1-(3-Acetylphenyl)-4,5-Dioxo-2-Thioxo-Pyrrolidin-3-Ylidene]-Phenyl-Methyl]Amino]Ethylamino]-Phenyl-Methylene]-5-Thioxo-Pyrrolidine-2,3-Dione; (4E)-1-(3-Acetylphenyl)-4-[[2-[[(E)-[1-(3-Acetylphenyl)-4,5-Dioxo-2-Thioxo-3-Pyrrolidinylidene]-Phenylmethyl]Amino]Ethylamino]-Phenylmethylene]-5-Thioxopyrrolidine-2,3-Dione; (4E)-1-(3-Acetylphenyl)-4-[[2-[[(E)-[1-(3-Acetylphenyl)-4,5-Diketo-2-Thioxo-Pyrrolidin-3-Ylidene]-Phenyl-Methyl]Amino]Ethylamino]-Phenyl-Methylene]-5-Thioxo-Pyrrolidine-2,3-Quinone
• Molecular Formula: C₄₀H₃₀N₄O₆S₂
• Molecular Weight: 726.82
• CAS Registry Number: 107887-99-0
• SMILES: C6=C(N5C(\C(=C(NCCNC(=C1/C(N(C(C1=O)=O)C2=CC=CC(=C2)C(=O)C)=S)/C3=CC=CC=C3)/C4=CC=CC=C4)C(C5=O)=O)=S)C=C(C=C6)C(=O)C
• InChI: 1S/C40H30N4O6S2/c1-23(45)27-15-9-17-29(21-27)43-37(49)35(47)31(39(43)51)33(25-11-5-3-6-12-25)41-19-20-42-34(26-13-7-4-8-14-26)32-36(48)38(50)44(40(32)52)30-18-10-16-28(22-30)24(2)46/h3-18,21-22,41-42H,19-20H2,1-2H3/b33-31+,34-32+
• InChIKey: IOBADXUQFVTSCT-FMWAKIAMSA-N

Properties

• Density: 1.476g/cm³ (Cal.)
• Boiling point: 880.752°C at 760 mmHg (Cal.)
• Flash point: 486.461°C (Cal.)