3-[2-[[2-[[2-[[2-[2-[2-(2,5-Dioxopyrrol-1-Yl)Ethoxy]Ethoxy]-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Sulfanylcarbonylbenzoic Acid
[CAS# 131274-04-9]

Identification

• Name: 3-[2-[[2-[[2-[[2-[2-[2-(2,5-Dioxopyrrol-1-Yl)Ethoxy]Ethoxy]-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Sulfanylcarbonylbenzoic Acid
• Synonyms: 3-[2-[[2-[[2-[[2-[2-[2-(2,5-Dioxopyrrol-1-Yl)Ethoxy]Ethoxy]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Sulfanylcarbonylbenzoic Acid; 3-[[[2-[[2-[[2-[[2-[2-[2-(2,5-Dioxo-1-Pyrrolyl)Ethoxy]Ethoxy]-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Thio]-Oxomethyl]Benzoic Acid; 3-[[2-Keto-2-[[2-Keto-2-[[2-Keto-2-[[2-Keto-2-[2-(2-Maleimidoethoxy)Ethoxy]Ethyl]Amino]Ethyl]Amino]Ethyl]Amino]Ethyl]Thio]Carbonylbenzoic Acid
• Molecular Formula: C₂₄H₂₆N₄O₁₁S
• Molecular Weight: 578.55
• CAS Registry Number: 131274-04-9
• SMILES: C1=C(C=CC=C1C(SCC(NCC(NCC(NCC(=O)OCCOCCN2C(C=CC2=O)=O)=O)=O)=O)=O)C(=O)O
• InChI: 1S/C24H26N4O11S/c29-17(12-26-19(31)14-40-24(37)16-3-1-2-15(10-16)23(35)36)25-11-18(30)27-13-22(34)39-9-8-38-7-6-28-20(32)4-5-21(28)33/h1-5,10H,6-9,11-14H2,(H,25,29)(H,26,31)(H,27,30)(H,35,36)
• InChIKey: KJOMXZQEBSFPAK-UHFFFAOYSA-N

Properties

• Density: 1.451g/cm³ (Cal.)
• Boiling point: 965.589°C at 760 mmHg (Cal.)
• Flash point: 537.769°C (Cal.)