RInChI=1.00.1S/C20H20BNO2/c1-15-3-9-18(10-4-15)22(19-11-5-16(2)6-12-19)20-13-7-17(8-14-20)21(23)24/h3-14,23-24H,1-2H3!C5H3BrIN/c6-4-1-2-5(7)8-3-4/h1-3H!CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C25H21BrN2/c1-18-3-10-22(11-4-18)28(23-12-5-19(2)6-13-23)24-14-7-20(8-15-24)25-16-9-21(26)17-27-25/h3-17H,1-2H3<>C4H8O2.H2O/c1-2-6-4-3-5-1;/h1-4H2;1H2/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/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16)(18,19)(23,24)/rA:24CCCCCCCCCCCCCCCCCCCCBNOO/rB:;;;;;;;s3;d4;s5;d6;s7;d8;s1d3s4;s2d5s6;d7s8;d9s10;d11s12;d13s14;s17;s18s19s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8/rA:8CCCCCBrIN/rB:d1;;s1d3;s2;s4;s5;s3d5;/rC:;;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-K+K+/rB:d1;s1;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/E:(1,2)(3,4,5,6)(7,8)(10,11,12,13)(14,15)(18,19)(22,23)/rA:28CCCCCCCCCCCCCCCCCCCCCCCCCBrNN/rB:;;;;;;;;s3;d4;s5;d6;s7;d8;d9;;s1d3s4;s2d5s6;d7s8;s9d17;d10s11;d12s13;d14s15;s16s20;s21;s17d25;s22s23s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5,6;7/E:(1,2,3,4)(5,6);/rA:7CCCCOOO/rB:s1;;s3;s1s3;s2s4;;/rC:;;;;;;;
Long-RInChIKey=SA-FUHFF-XDARIDUNZZQZBQ-UHFFFAOYSA-N-HSNBRDZXJMPDGH-UHFFFAOYSA-N-BWHMMNNQKKPAPP-UHFFFAOYSA-L--NKBOMYREGILPQU-UHFFFAOYSA-N--RNHDAKUGFHSZEV-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-XJMFVOVJGH-NKBOMYREGI-RNHDAKUGFH-LUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=NHPKVMFVPRNWGKWLK-LUHFFFADPSCTJSA