RInChI=1.00.1S/C14H8Br2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H!C33H21BrN2/c34-32-27-17-6-4-15-25(27)31(26-16-5-7-18-28(26)32)22-11-10-12-23(21-22)33-35-29-19-8-9-20-30(29)36(33)24-13-2-1-3-14-24/h1-21H!CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2!H2O/h1H2<>C32H20BrN/c33-32-27-16-3-1-14-25(27)31(26-15-2-4-17-28(26)32)21-10-9-11-22(20-21)34-29-18-7-5-12-23(29)24-13-6-8-19-30(24)34/h1-20H<>C4H8O/c1-2-4-5-3-1/h1-4H2/d+
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)/rA:16CCCCCCCCCCCCCCBrBr/rB:s1;;d3;d1;d2;s3;s4;s5;s6s9;d7;d8s11;d9s11;d10s12;s13;s14;/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:(2,3)(4,5)(6,7)(13,14)(15,16)(17,18)(25,26)(27,28)/rA:36CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBrNN/rB:d1;s1;;;s4;d5;;d8;;d10;s10;s2;d3;d4;s5;d6;s7;s8;s9;;s11d21;d12s21;d13s14;s15;d16;s17s25;d18s26;d19;d20s29;s22d25s26;d27s28;s23;s32;s29d33;s24s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-Na+Na+/rB:d1;s1;s1;;;/rC:;;;;;;!0/N:1/rA:1O/rB:/rC:;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34/E:(1,2)(3,4)(5,6)(7,8)(12,13)(14,15)(16,17)(18,19)(23,24)(25,26)(27,28)(29,30)/rA:34CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBrN/rB:;s1;d2;;;d5;d6;;d9;s9;s5;s6;d1;s2;d3;s4;s7;s8;;s10d20;d11s20;d12;d13s23;s14;d15;s16s25;d17s26;d18s23;d19s24;s21d25s26;d27s28;s32;s22s29s30;/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-BRUOAURMAFDGLP-UHFFFAOYSA-N-VAYHOCGAPLPGPV-UHFFFAOYSA-N-CDBYLPFSWZWCQE-UHFFFAOYSA-L-XLYOFNOQVPJJNP-UHFFFAOYSA-N--YZXVTGPRVHBLPD-UHFFFAOYSA-N--WYURNTSHIVDZCO-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-BSWUQLHAOX-YZXVTGPRVH-WYURNTSHIV-LUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=YSBYOUBNRFQAMAGBN-LUHFFFADPSCTJSA