RInChI=1.00.1S/C18H15F3N6/c19-18(20,21)16-14(13-5-3-11(4-6-13)9-23-25-22)7-8-15-17(16)24-26-27(15)10-12-1-2-12/h3-8,12H,1-2,9-10H2!C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H!CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1!H2O/h1H2<>C18H17F3N4/c19-18(20,21)16-14(13-5-3-11(9-22)4-6-13)7-8-15-17(16)23-24-25(15)10-12-1-2-12/h3-8,12H,1-2,9-10,22H2<>C4H8O/c1-2-4-5-3-1/h1-4H2/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/E:(1,2)(3,4)(5,6)(19,20,21)/CRV:25.5/rA:27CCCCCCCCCCCCCCCCCCFFFN-NNN+NN/rB:s1;;;s3;d4;;d7;;;d3s4s9;s1s2s10;d5s6;s7s13;s8;d14;d15s16;s16;s18;s18;s18;;s9;s17;d22d23;d24;s10s15s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19/E:(1,2,3)(4,5,6,7,8,9)(10,11,12,13,14,15)(16,17,18)/rA:19CCCCCCCCCCCCCCCCCCP/rB:;;d1;s1;d2;s2;d3;s3;s4;d5;s6;d7;s8;d9;d10s11;d12s13;d14s15;s16s17s18;/rC:;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4;5/E:(2,3,4);/rA:5COO-ONa+/rB:d1;s1;s1;;/rC:;;;;;!0/N:1/rA:1O/rB:/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/E:(1,2)(3,4)(5,6)(19,20,21)/rA:25CCCCCCCCCCCCCCCCCCFFFNNNN/rB:s1;;;s3;d4;;d7;;;d3s4s9;s1s2s10;d5s6;s7s13;s8;d14;d15s16;s16;s18;s18;s18;s9;s17;d23;s10s15s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)(3,4)/rA:5CCCCO/rB:s1;s1;s2;s3s4;/rC:;;;;;
Long-RInChIKey=SA-FUHFF-PLEDRSLTDGYADA-UHFFFAOYSA-N-RIOQSEWOXXDEQQ-UHFFFAOYSA-N-UIIMBOGNXHQVGW-UHFFFAOYSA-M-XLYOFNOQVPJJNP-UHFFFAOYSA-N--PBYICTCLDJIFPD-UHFFFAOYSA-N--WYURNTSHIVDZCO-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-CSJUDWVTBW-PBYICTCLDJ-WYURNTSHIV-MUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=QZJIHXOMYJTIEJDZG-MUHFFFADPSCTJSA