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Sulfo-Cy3 tetrazine (potassium)
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Sulfo-Cy3 tetrazine (potassium)

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Catalog NumberCCR301
IUPAC NamePotassium;(2E)-3,3-dimethyl-1-[6-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-6-oxohexyl]-2-[(E)-3-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)prop-2-enylidene]indole-5-sulfonate
Molecular Weight838.1
Molecular FormulaC40H44KN7O7S2
Canonical SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCCCN3C4=C(C=C(C=C4)S(=O)(=O)[O-])C(C3=CC=CC5=[N+](C6=C(C5(C)C)C=C(C=C6)S(=O)(=O)[O-])C)(C)C.[K+]
InChIInChI=1S/C40H45N7O7S2.K/c1-26-42-44-38(45-43-26)28-16-14-27(15-17-28)25-41-37(48)13-8-7-9-22-47-34-21-19-30(56(52,53)54)24-32(34)40(4,5)36(47)12-10-11-35-39(2,3)31-23-29(55(49,50)51)18-20-33(31)46(35)6;/h10-12,14-21,23-24H,7-9,13,22,25H2,1-6H3,(H2-,41,48,49,50,51,52,53,54);/q;+1/p-1
InChI KeyMOTFTOHZJPRDSY-UHFFFAOYSA-M
ApplicationIEDDA Click Reaction
Complexity1710
Exact Mass837.23807060
Isomeric SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCCCN\3C4=C(C=C(C=C4)S(=O)(=O)[O-])C(/C3=C\C=C\C5=[N+](C6=C(C5(C)C)C=C(C=C6)S(=O)(=O)[O-])C)(C)C.[K+]
Monoisotopic Mass837.23807060
Topological Polar Surface Area218Ų

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