RInChI=0.03.1S/C11H8BrN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H<>C5H4BrN/c6-5-3-1-2-4-7-5/h1-4H!C6H6BBrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H!C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3!CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>H2O/h1H2/d-

RAuxInfo=0.03.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13/rA:13CCCCCCCCCCCBrN/rB:d1;;d3;s3;s1;s2;;s4d8;d5s8;d6s9;s10;d7s11;/rC:;;;;;;;;;;;;;<>0/N:1,2,3,4,5,6,7/rA:7CCCCCBrN/rB:d1;s1;s2;d3;s5;d4s5;/rC:;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10/E:(9,10)/rA:10CCCCCCBBrOO/rB:d1;s1;;s2d4;d3s4;s5;s6;s7;s7;/rC:;;;;;;;;;;!0/N:1,2,3,4,5,6,7/E:(3,4)(5,6)/rA:7CCCCCCC/rB:;d2;s2;s3;d4;s1d5s6;/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/rA:1O/rB:/rC:;

Long-RInChIKey=SA-BUHFF-WLPFTJXVEBANAM-UHFFFAOYSA-N--IMRWILPUOVGIMU-UHFFFAOYSA-N-AFSSVCNPDKKSRR-UHFFFAOYSA-N-YXFVVABEGXRONW-UHFFFAOYSA-N-BWHMMNNQKKPAPP-UHFFFAOYSA-L--XLYOFNOQVPJJNP-UHFFFAOYSA-N

Short-RInChIKey=SA-BUHFF-WLPFTJXVEB-FUNSEHXLAL-XLYOFNOQVP-NUHFF-LUHFF-NUHFF-ZZZ

Web-RInChIKey=GQLAAGFXVQYTMJRWF-LUHFFFADPSCTJSA