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!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!C5H9N3O/c1-2-4-7-5(3-6)9-8-4/h2-3,6H2,1H3!CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C17H21N3O3S/c1-6-13-19-14(23-20-13)10-18-12-9-11(7-8-17(2,3)4)24-15(12)16(21)22-5/h9,18H,6,10H2,1-5H3<>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/d+

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Long-RInChIKey=SA-FUHFF-DHMIAWDYSGUSLD-UHFFFAOYSA-N-VNFWTIYUKDMAOP-UHFFFAOYSA-N-FDWYISIKXAASEG-UHFFFAOYSA-N-FJDQFPXHSGXQBY-UHFFFAOYSA-L--MXESYEPMSQVACZ-UHFFFAOYSA-N--CYPYTURSJDMMMP-UHFFFAOYSA-N-RYHBNJHYFVUHQT-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-UJZVLRNUMF-MXESYEPMSQ-ZGANSILYWN-LUHFF-NUHFF-NUHFF-ZZZ

Web-RInChIKey=MBMQBLHMUHUFQPHPP-LUHFFFADPSCTJSA