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. 2014 Apr 28;5:3737. doi: 10.1038/ncomms4737

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Copyright © 2014, Nature Publishing Group, a division of Macmillan Publishers Limited. All Rights Reserved.

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Compound 5 — Molecular Weight: 770.12

Elemental Analysis: C, 45.23; H, 6.41; Cl, 4.60; F, 7.40; Mo, 12.46; N, 5.46; O, 6.23; P, 8.04; S, 4.16

Standard InChI: InChI=1S/C23H43NP2.C5H5N.CHF3O3S.ClH.Mo.HN/c1-20(2,3)25(21(4,5)6)16-18-14-13-15-19(24-18)17-26(22(7,8)9)23(10,11)12;1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;;;/h13-15H,16-17H2,1-12H3;1-5H;(H,5,6,7);1H;;1H/q;;;;+5;-3/p-2

Standard InChIKey: GQSWQBWDJJISEC-UHFFFAOYSA-L

SMILES: [O-]S(C(F)(F)F)(=O)=O.[N-3][H].CC(C)(C)P(C(C)(C)C)CC1=NC(CP(C(C)(C)C)C(C)(C)C)=CC=C1.[Mo+5].N2=CC=CC=C2.[Cl-]

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