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DBCO-STP ester
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DBCO-STP ester

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Catalog NumberCCR224
IUPAC NameSodium;4-[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoyl]oxy-2,3,5,6-tetrafluorobenzenesulfonate
Molecular Weight583.5
Molecular FormulaC27H18F4NNaO6S
Canonical SMILESC1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCCCC(=O)OC4=C(C(=C(C(=C4F)F)S(=O)(=O)[O-])F)F.[Na+]
InChIInChI=1S/C27H19F4NO6S.Na/c28-22-24(30)27(39(35,36)37)25(31)23(29)26(22)38-21(34)12-6-5-11-20(33)32-15-18-9-2-1-7-16(18)13-14-17-8-3-4-10-19(17)32;/h1-4,7-10H,5-6,11-12,15H2,(H,35,36,37);/q;+1/p-1
InChI KeyZBRZLKRKJIBISC-UHFFFAOYSA-M
ApplicationSPAAC & SPANC Click Reaction
Complexity1060
Exact Mass583.06886540
Monoisotopic Mass583.06886540
Topological Polar Surface Area112Ų

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