RInChI=1.00.1S/C25H25ClF3N3O/c1-24(2)16-31(13-12-30-24)23(33)22-20(18-8-10-19(26)11-9-18)14-21(25(27,28)29)32(22)15-17-6-4-3-5-7-17/h3-11,14,30H,12-13,15-16H2,1-2H3<>C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)!C30H33ClF3N3O3/c1-28(2,3)40-27(39)37-16-15-35(19-29(37,4)5)26(38)25-23(21-11-13-22(31)14-12-21)17-24(30(32,33)34)36(25)18-20-9-7-6-8-10-20/h6-14,17H,15-16,18-19H2,1-5H3!CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1<>CH2Cl2/c2-1-3/h1H2/d-

RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33/E:(1,2)(4,5)(6,7)(8,9)(10,11)(27,28,29)/rA:33CCCCCCCCCCCCCCCCCCCCCCCCCClFFFNNNO/rB:;;d3;s3;s4;d5;;;s8;d9;;s12;;;;d6s7s15;d8s9;d10s11;s14s18;d14;d20;s22;s1s2s16;s21;s19;s25;s25;s25;s12s24;s13s16s23;s15s21s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>1/N:1,2,3,4,5,6,7/E:(3,4,5)(6,7)/rA:7CCFFFOO/rB:s1;s2;s2;s2;d1;s1;/rC:;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40/E:(1,2,3)(4,5)(7,8)(9,10)(11,12)(13,14)(32,33,34)/rA:40CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCClFFFNNNOOO/rB:;;;;;d6;s6;s7;d8;;;s11;d12;;s15;;;;d9s10s18;d11s12;d13s14;s17s21;d17;d23;s25;;s1s2s3;s4s5s19;s24;s22;s30;s30;s30;s15s19s26;s18s24s25;s16s27s29;d26;d27;s27s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4;5/E:(2,3,4);/rA:5COO-ONa+/rB:d1;s1;s1;;/rC:;;;;;<>0/N:1,2,3/E:(2,3)/rA:3CClCl/rB:s1;s1;/rC:;;;

Long-RInChIKey=SA-BUHFF-NOPILQYQXPSJTP-UHFFFAOYSA-N--DTQVDTLACAAQTR-UHFFFAOYSA-N-OSOOIGQUHMTALX-UHFFFAOYSA-N-UIIMBOGNXHQVGW-UHFFFAOYSA-M--YMWUJEATGCHHMB-UHFFFAOYSA-N

Short-RInChIKey=SA-BUHFF-NOPILQYQXP-VBIKCJVRCF-YMWUJEATGC-NUHFF-MUHFF-NUHFF-ZZZ

Web-RInChIKey=UHKXOYKOBHEIFWYSQ-MUHFFFADPSCTJSA