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Bis-sulfone-PEG4-TCO
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Bis-sulfone-PEG4-TCO

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Catalog NumberCCR400
IUPAC Name[(4E)-Cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[[4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular Weight871.1
Molecular FormulaC44H58N2O12S2
Canonical SMILESCC1=CC=C(C=C1)S(=O)(=O)CC(CS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C(=O)NCCOCCOCCOCCOCCNC(=O)OC4CCCC=CCC4
InChIInChI=1S/C44H58N2O12S2/c1-34-10-18-40(19-11-34)59(50,51)32-38(33-60(52,53)41-20-12-35(2)13-21-41)42(47)36-14-16-37(17-15-36)43(48)45-22-24-54-26-28-56-30-31-57-29-27-55-25-23-46-44(49)58-39-8-6-4-3-5-7-9-39/h3-4,10-21,38-39H,5-9,22-33H2,1-2H3,(H,45,48)(H,46,49)/b4-3+
InChI KeyPGQJJPZJFKHZKP-ONEGZZNKSA-N
ApplicationIEDDA Click Reaction
Complexity1450
Exact Mass870.34311764
Isomeric SMILESCC1=CC=C(C=C1)S(=O)(=O)CC(CS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C(=O)NCCOCCOCCOCCOCCNC(=O)OC4CCC/C=C/CC4
Monoisotopic Mass870.34311764
Topological Polar Surface Area207Ų

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