RInChI=0.03.1S/C12H13BrO2S/c1-12(2,3)6-5-8-7-9(13)10(16-8)11(14)15-4/h7H,1-4H3!C26H35O2P/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h9-11,16-21H,3-8,12-15H2,1-2H3!C6H11N3/c1-6(7)5-9-4-2-3-8-9/h2-4,6H,5,7H2,1H3!CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C18H23N3O2S/c1-13(12-21-10-6-9-19-21)20-15-11-14(7-8-18(2,3)4)24-16(15)17(22)23-5/h6,9-11,13,20H,12H2,1-5H3<>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!C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3/d+

RAuxInfo=0.03.1/0/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:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29/E:(1,2)(3,4)(5,6,7,8)(12,13,14,15)(17,18)(20,21)(23,24)(27,28)/rA:29CCCCCCCCCCCCCCCCCCCCCCCCCCOOP/rB:;;;s3;s3;s4;s4;;d9;;s5;s6;s7;s8;s9;d11;s11;s10;s12s13;s14s15;d16;s17;d18;d19s22;s22d23s24;s1s23;s2s24;s20s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9/rA:9CCCCCCNNN/rB:;s2;d2;;s1s5;s6;d3;s4s5s8;/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:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24/E:(2,3,4)/rA:24CCCCCCCCCCCCCCCCCCNNNOOS/rB:;;;;;;t7;s6;d6;;;s1s12;s7d11;s11;d15;s16;s2s3s4s8;d9;s13s15;s10s12s19;d17;s5s17;s14s16;/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:1,2,3,4,5,6/rA:6CCCCOO/rB:;s1;s2;d4;s3s4;/rC:;;;;;;

Long-RInChIKey=SA-FUHFF-DHMIAWDYSGUSLD-UHFFFAOYSA-N-VNFWTIYUKDMAOP-UHFFFAOYSA-N-UWVUXGHAXNILPG-UHFFFAOYSA-N-FJDQFPXHSGXQBY-UHFFFAOYSA-L--KKEJZXVSFNJMCU-UHFFFAOYSA-N--CYPYTURSJDMMMP-UHFFFAOYSA-N-RYHBNJHYFVUHQT-UHFFFAOYSA-N-XEKOWRVHYACXOJ-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-OWZAQHSZVZ-KKEJZXVSFN-QHPUOCCIQA-LUHFF-NUHFF-NUHFF-ZZZ

Web-RInChIKey=FXZLHWGZMVAGGBGUU-LUHFFFADPSCTJSA