RInChI=1.00.1S/C16H8Br2/c17-13-8-11-5-4-9-2-1-3-10-6-7-12(16(13)18)15(11)14(9)10/h1-8H!C21H21O3P/c1-22-16-10-4-7-13-19(16)25(20-14-8-5-11-17(20)23-2)21-15-9-6-12-18(21)24-3/h4-15H,1-3H3!C9H8BNO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6,12-13H!CH2O3.2Na.H2O/c2-1(3)4;;;/h(H2,2,3,4);;;1H2/q;2*+1;/p-2<>C34H20N2/c1-3-7-31-23(5-1)17-25(19-35-31)27-13-9-21-12-16-30-28(14-10-22-11-15-29(27)33(21)34(22)30)26-18-24-6-2-4-8-32(24)36-20-26/h1-20H<>2C2H4O2.Pd/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2!C25H54N.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1!C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/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/rA:18CCCCCCCCCCCCCCCCBrBr/rB:d1;s1;;d4;;d6;;s2s4;d3s6;s5d8;s7;s8;d9s10;s11d12s14;s12d13;s13;s16;/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:25CCCCCCCCCCCCCCCCCCCCCOOOP/rB:;;;;;d4;d5;d6;s4;s5;s6;s7;s8;s9;d10;d11;d12;d13s16;d14s17;d15s18;s1s16;s2s17;s3s18;s19s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13/E:(12,13)/rA:13CCCCCCCCCBNOO/rB:d1;s1;s2;;;d3s5;d5s6;d4s7;s8;d6s9;s10;s10;/rC:;;;;;;;;;;;;;!1/N:1,2,3,4;5;6;7/E:(2,3,4);;;/rA:7COO-O-Na+Na+O/rB:d1;s1;s1;;;;/rC:;;;;;;;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36/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)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/rA:36CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNN/rB:;d1;d2;s1;s2;s3;s4;;;;;d9;d10;d11;d12;;;;;s9s12;s10s11;d5s17;d6s18;d17s19;d18s20;s13s25;s14s26;s15d27;s16d28;d7s23;d8s24;d21s29;d22s30s33;d19s31;d20s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>1/N:1,2,3,4;5,6,7,8;9/E:2*(3,4);/rA:9CCOO-CCOO-Pd+2/rB:s1;d2;s2;;s5;d6;s6;;/rC:;;;;;;;;;!1/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)(5,6,7)(8,9,10)(11,12,13)(14,15,16)(17,18,19)(20,21,22)(23,24,25);/CRV:26+1;/rA:27CCCCCCCCCCCCCCCCCCCCCCCCCN+Cl-/rB:;;;s1;s2;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s4s23s24s25;;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7/E:(3,4)(5,6)/rA:7CCCCCCC/rB:;d2;s2;s3;d4;s1d5s6;/rC:;;;;;;;
Long-RInChIKey=SA-FUHFF-RSTNHMQIXLXPJV-UHFFFAOYSA-N-IIOSDXGZLBPOHD-UHFFFAOYSA-N-YGDICLRMNDWZAK-UHFFFAOYSA-N-MQRJBSHKWOFOGF-UHFFFAOYSA-L--PCLHNGUBMAVEGS-UHFFFAOYSA-N--YJVFFLUZDVXJQI-UHFFFAOYSA-L-XKBGEWXEAPTVCK-UHFFFAOYSA-M-YXFVVABEGXRONW-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-UJZKLDUDNU-PCLHNGUBMA-AEEOREMTTR-LUHFF-NUHFF-KUHFF-ZZZ
Web-RInChIKey=JIKFZCUUCRXREWHNS-IUHFFFADPSCTJSA