RInChI=1.00.1S/C11H11BrO2S/c1-7(2)4-5-8-6-9(12)10(15-8)11(13)14-3/h6-7H,1-3H3!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!C5H11NO/c6-5-1-3-7-4-2-5/h5H,1-4,6H2!CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C16H21NO3S/c1-11(2)4-5-13-10-14(15(21-13)16(18)19-3)17-12-6-8-20-9-7-12/h10-12,17H,6-9H2,1-3H3<>2C2H4O2.Pd/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2!C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3!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/E:(1,2)/rA:15CCCCCCCCCCCBrOOS/rB:;;;t4;;s1s2s4;s5d6;s6;d9;s10;s9;d11;s3s11;s8s10;/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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7/E:(1,2)(3,4)/rA:7CCCCCNO/rB:;s1;s2;s1s2;s5;s3s4;/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:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21/E:(1,2)(6,7)(8,9)/rA:21CCCCCCCCCCCCCCCCNOOOS/rB:;;;t4;;;s6;s7;;s1s2s4;s6s7;s5d10;s10;d14;s15;s12s14;d16;s3s16;s8s9;s13s15;/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:;;;;;;;;;!0/N:1,2,3,4,5,6/rA:6CCCCOO/rB:;s1;s2;d4;s3s4;/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-IFGQAEUAFOXERT-UHFFFAOYSA-N-MUALRAIOVNYAIW-UHFFFAOYSA-N-AHVQYHFYQWKUKB-UHFFFAOYSA-N-FJDQFPXHSGXQBY-UHFFFAOYSA-L--IMJGQTICHOGIHS-UHFFFAOYSA-N--YJVFFLUZDVXJQI-UHFFFAOYSA-L-XEKOWRVHYACXOJ-UHFFFAOYSA-N-YXFVVABEGXRONW-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-JNMVDQSSMQ-IMJGQTICHO-ILDJDWKSMO-LUHFF-NUHFF-LUHFF-ZZZ
Web-RInChIKey=HXDPDJSQGSPAPDKDH-JUHFFFADPSCTJSA