2-[[(5Z)-5-(3H-1,3-Benzothiazol-2-Ylidene)-3-[(1,3-Dioxoisoindol-2-Yl)Methyl]-6-Oxo-1-Cyclohexa-1,3-Dienyl]Methyl]Isoindole-1,3-Dione
[CAS# 39951-80-9]

Identification

• Name: 2-[[(5Z)-5-(3H-1,3-Benzothiazol-2-Ylidene)-3-[(1,3-Dioxoisoindol-2-Yl)Methyl]-6-Oxo-1-Cyclohexa-1,3-Dienyl]Methyl]Isoindole-1,3-Dione
• Synonyms: 2-[[(5Z)-5-(3H-1,3-Benzothiazol-2-Ylidene)-3-[(1,3-Dioxoisoindolin-2-Yl)Methyl]-6-Oxo-1-Cyclohexa-1,3-Dienyl]Methyl]Isoindoline-1,3-Dione; 2-[[(5Z)-5-(3H-1,3-Benzothiazol-2-Ylidene)-3-[(1,3-Dioxo-2-Isoindolinyl)Methyl]-6-Oxo-1-Cyclohexa-1,3-Dienyl]Methyl]Isoindoline-1,3-Dione; 2-[[(5Z)-5-(3H-1,3-Benzothiazol-2-Ylidene)-3-[(1,3-Diketoisoindolin-2-Yl)Methyl]-6-Keto-1-Cyclohexa-1,3-Dienyl]Methyl]Isoindoline-1,3-Quinone
• Molecular Formula: C₃₁H₁₉N₃O₅S
• Molecular Weight: 545.57
• CAS Registry Number: 39951-80-9
• EINECS: 254-714-4
• SMILES: C7=C6C(=O)N(CC1=CC(=CC(/C1=O)=C\3SC2=CC=CC=C2N3)CN5C(=O)C4=CC=CC=C4C5=O)C(=O)C6=CC=C7
• InChI: 1S/C31H19N3O5S/c35-26-18(16-34-30(38)21-9-3-4-10-22(21)31(34)39)13-17(14-23(26)27-32-24-11-5-6-12-25(24)40-27)15-33-28(36)19-7-1-2-8-20(19)29(33)37/h1-14,32H,15-16H2/b27-23-
• InChIKey: JUHFAXXPQILKSK-VYIQYICTSA-N

Properties

• Density: 1.537g/cm³ (Cal.)
• Boiling point: 743.648°C at 760 mmHg (Cal.)
• Flash point: 403.544°C (Cal.)