RInChI=0.03.1S/C21H16F3N5O2/c1-3-14-5-4-6-15(11-14)12-29-13(2)25-19(27-29)20-26-18(28-31-20)16-7-9-17(10-8-16)30-21(22,23)24/h3-11H,1,12H2,2H3!C4H10O/c1-4(2,3)5/h5H,1-3H3!C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3<>C21H18F3N5O4/c1-12-25-19(27-29(12)10-13-3-2-4-15(9-13)17(31)11-30)20-26-18(28-33-20)14-5-7-16(8-6-14)32-21(22,23)24/h2-9,17,30-31H,10-11H2,1H3<>4O.Os!H2O/h1H2/d+

RAuxInfo=0.03.1/0/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/E:(7,8)(9,10)(22,23,24)/rA:31CCCCCCCCCCCCCCCCCCCCCFFFNNNNNOO/rB:;d1;;d4;s4;;;s7;d8;;;s2;s3s5d11;d6s11s12;d7s8;d9s10;s16;;s19;;s21;s21;s21;d13s19;s18d20;d19;d18;s12s13s27;s17s21;s20s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5/E:(1,2,3)/rA:5CCCCO/rB:;;s1s2s3;s4;/rC:;;;;;!0/N:1,2,3,4,5,6,7,8/E:(2,3)(4,5)/rA:8CCCCCNOO/rB:;;s2;s3;s1s2s3;d6;s4s5;/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/E:(5,6)(7,8)(22,23,24)/rA:33CCCCCCCCCCCCCCCCCCCCCFFFNNNNNOOOO/rB:;d2;s2;;;s5;d6;;;;s1;s3d9s10;d5s6;d4s9;d7s8;s11s15;s14;;s19;;s21;s21;s21;d12s19;s18d20;d19;d18;s10s12s27;s11;s17;s16s21;s20s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1;2;3;4;5/rA:5O0O0O0O0Os/rB:;;;;/rC:;;;;;!0/N:1/rA:1O/rB:/rC:;

Long-RInChIKey=SA-FUHFF-OVIFPUHPQTZVQZ-UHFFFAOYSA-N-DKGAVHZHDRPRBM-UHFFFAOYSA-N-LFTLOKWAGJYHHR-UHFFFAOYSA-N--ZQCHRSJRHIJIEK-UHFFFAOYSA-N--VUVGYHUDAICLFK-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-IQNMSQLBUN-ZQCHRSJRHI-PKHZOBPSFB-NUHFF-NUHFF-NUHFF-ZZZ

Web-RInChIKey=MDBIKFUWLCQUTKMQZ-NUHFFFADPSCTJSA