RInChI=1.00.1S/C12H9Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H!C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H!C4H9.Li/c1-3-4-2;/h1,3-4H2,2H3;!H2O/h1H2<>C25H16/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25/h1-16H<>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/E:(2,3)(6,7)/rA:13CCCCCCCCCCCCBr/rB:d1;s1;;d4;s2;d3;s4;s5;d6s7;d8s10;d9s11;s12;/rC:;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:14CCCCCCCCCCCCCO/rB:;d1;d2;s1;s2;s3;s4;d5;d6s9;d7s9;d8s10;s11s12;d13;/rC:;;;;;;;;;;;;;;!0/N:1,2,3,4;5/CRV:1d;/rA:5C.2CCCLi0/rB:;s1;s2s3;;/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)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18,19,20)(21,22,23,24)/rA:25CCCCCCCCCCCCCCCCCCCCCCCCC/rB:;;;d1;d2;d3;d4;s1;s2;s3;s4;s5;s6;s7;s8;d9;d10s17;d11;d12s19;d13s17;d14s18;d15s19;d16s20;s21s22s23s24;/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-KTADSLDAUJLZGL-UHFFFAOYSA-N-YLQWCDOCJODRMT-UHFFFAOYSA-N-MZRVEZGGRBJDDB-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N--SNFCXVRWFNAHQX-UHFFFAOYSA-N--WYURNTSHIVDZCO-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-BESAVGHQQK-SNFCXVRWFN-WYURNTSHIV-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=SEKRBRWXRYVPECKVI-NUHFFFADPSCTJSA