12-(4-Methoxyphenyl)-9-Oxo-2-Oxa-5,11-Dithia-8-Azadodecanoicacid 4-Nitrophenyl Ester 5,5-Dioxide
[CAS# 136743-24-3]

Identification

• Name: 12-(4-Methoxyphenyl)-9-Oxo-2-Oxa-5,11-Dithia-8-Azadodecanoicacid 4-Nitrophenyl Ester 5,5-Dioxide
• Synonyms: 2-[2-[[2-Hydroxy-2-[Hydroxy-(4-Methoxyphenyl)Methyl]Sulfanyl-Acetyl]Amino]Ethylsulfanyl]Ethyl (4-Nitrophenyl) Carbonate; Carbonic Acid 2-[2-[[2-Hydroxy-2-[[Hydroxy-(4-Methoxyphenyl)Methyl]Thio]-1-Oxoethyl]Amino]Ethylthio]Ethyl (4-Nitrophenyl) Ester; Carbonic Acid 2-[2-[[2-Hydroxy-2-[[Hydroxy-(4-Methoxyphenyl)Methyl]Thio]Acetyl]Amino]Ethylthio]Ethyl (4-Nitrophenyl) Ester
• Molecular Formula: C₂₁H₂₄N₂O₉S₂
• Molecular Weight: 512.55
• CAS Registry Number: 136743-24-3
• SMILES: C2=C(C(SC(O)C(=O)NCCSCCOC(OC1=CC=C([N+]([O-])=O)C=C1)=O)O)C=CC(=C2)OC
• InChI: 1S/C21H24N2O9S2/c1-30-16-6-2-14(3-7-16)19(25)34-20(26)18(24)22-10-12-33-13-11-31-21(27)32-17-8-4-15(5-9-17)23(28)29/h2-9,19-20,25-26H,10-13H2,1H3,(H,22,24)
• InChIKey: ZCHRAGIQKGCBAZ-UHFFFAOYSA-N

Properties

• Density: 1.428g/cm³ (Cal.)
• Boiling point: 750.413°C at 760 mmHg (Cal.)
• Flash point: 407.635°C (Cal.)