RInChI=1.00.1S/C12H13BrO2S/c1-12(2,3)6-5-8-7-9(13)10(16-8)11(14)15-4/h7H,1-4H3!C3H7N/c4-3-1-2-3/h3H,1-2,4H2!C44H32P2/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H!CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C15H19NO2S/c1-15(2,3)8-7-11-9-12(16-10-5-6-10)13(19-11)14(17)18-4/h9-10,16H,5-6H2,1-4H3<>3C17H14O.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3*1-14H;;!C4H8O2/c1-2-6-4-3-5-1/h1-4H2!CH2Cl2/c2-1-3/h1H2/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)/rA:16CCCCCCCCCCCCBrOOS/rB:;;;;t5;;s5d7;s7;d9;s10;s1s2s3s6;s9;d11;s4s11;s8s10;/rC:;;;;;;;;;;;;;;;;!0/N:1,2,3,4/E:(1,2)/rA:4CCCN/rB:s1;s1s2;s3;/rC:;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46/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)(35,36,37,38)(39,40)(41,42)(43,44)(45,46)/rA:46CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCPP/rB:;;;d1;s1;d2;s2;d3;s3;d4;s4;;;d13;d14;s13;s14;s5;d6;s7;d8;s9;d10;s11;d12;s15;s16;;;d29;d30;d17s29;d18s30;d19s20;d21s22;d23s24;d25s26;d27s33;d28s34;s31;s32;s39d41;s40d42s43;s35s36s41;s37s38s42;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-Cs+Cs+/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/E:(1,2,3)(5,6)/rA:19CCCCCCCCCCCCCCCNOOS/rB:;;;;s5;;t7;;s5s6;s7d9;s9;d12;s13;s1s2s3s8;s10s12;d14;s4s14;s11s13;/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;37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54;55;56/E:3*(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16);;/rA:56CCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCOPdPd/rB:;d1;s1;d2;s2;s3;d4;s5;d6;;;d11;d12;d7s8s11;d9s10s12;s13s14;d17;;;d19;s19;d20;s20;s21;d22;s23;d24;;;d29;d30;d25s26s29;d27s28s30;s31s32;d35;;;d37;s37;d38;s38;s39;d40;s41;d42;;;d47;d48;d43s44s47;d45s46s48;s49s50;d53;;;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6/E:(1,2,3,4)(5,6)/rA:6CCCCOO/rB:s1;;s3;s1s3;s2s4;/rC:;;;;;;!0/N:1,2,3/E:(2,3)/rA:3CClCl/rB:s1;s1;/rC:;;;
Long-RInChIKey=SA-FUHFF-DHMIAWDYSGUSLD-UHFFFAOYSA-N-HTJDQJBWANPRPF-UHFFFAOYSA-N-MUALRAIOVNYAIW-UHFFFAOYSA-N-FJDQFPXHSGXQBY-UHFFFAOYSA-L--YKEYLRMXKGHCRA-UHFFFAOYSA-N--CYPYTURSJDMMMP-UHFFFAOYSA-N-RYHBNJHYFVUHQT-UHFFFAOYSA-N-YMWUJEATGCHHMB-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-KKISBXZMTG-YKEYLRMXKG-PSWJDEPFVP-LUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=CQPXJLSCCFGTSXICJ-LUHFFFADPSCTJSA