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Sulfo-Cy3-PEG2-TCO
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Sulfo-Cy3-PEG2-TCO

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Catalog NumberCCR405
IUPAC NameDisodium;(2E)-1-[6-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-2-[(E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindole-5-sulfonate
Molecular Weight1051.2
Molecular FormulaC47H64N4Na2O14S3
Canonical SMILESCC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=C3C(C4=C(N3CCCCCC(=O)NCCOCCOCCNC(=O)OC5CCCC=CCC5)C=CC(=C4)S(=O)(=O)[O-])(C)C)CCCS(=O)(=O)[O-])C.[Na+].[Na+]
InChIInChI=1S/C47H66N4O14S3.2Na/c1-46(2)38-33-36(67(57,58)59)20-22-40(38)50(26-12-8-11-19-44(52)48-24-28-63-30-31-64-29-25-49-45(53)65-35-15-9-6-5-7-10-16-35)42(46)17-13-18-43-47(3,4)39-34-37(68(60,61)62)21-23-41(39)51(43)27-14-32-66(54,55)56;;/h5-6,13,17-18,20-23,33-35H,7-12,14-16,19,24-32H2,1-4H3,(H4-,48,49,52,53,54,55,56,57,58,59,60,61,62);;/q;2*+1/p-2/b6-5-;;
InChI KeyQFCYIVIBRZKPKP-XNOMRPDFSA-L
ApplicationIEDDA Click Reaction
Complexity2160
Exact Mass1050.33765481
Isomeric SMILESCC1(C2=C(CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C=C/3\C(C4=C(N3CCCCCC(=O)NCCOCCOCCNC(=O)OC5CCC/C=C\CC5)C=CC(=C4)S(=O)(=O)[O-])(C)C)CCCS(=O)(=O)[O-])C.[Na+].[Na+]
Monoisotopic Mass1050.33765481
Topological Polar Surface Area289Ų

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