RInChI=1.00.1S/C10H12BrFO2/c1-13-3-2-4-14-10-6-8(11)5-9(12)7-10/h5-7H,2-4H2,1H3!C27H26P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2!C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2!CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2!ClH/h1H<>C12H15FO3/c1-9(14)10-6-11(13)8-12(7-10)16-5-3-4-15-2/h6-8H,3-5H2,1-2H3<>2C2H4O2.Pd/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2!H2O/h1H2/d+

RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14/rA:14CCCCCCCCCCBrFOO/rB:;s2;s2;;;;d5s6;s5d7;d6s7;s8;s9;s1s3;s4s10;/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)(5,6,7,8,9,10,11,12)(14,15,16,17,18,19,20,21)(22,23)(24,25,26,27)(28,29)/rA:29CCCCCCCCCCCCCCCCCCCCCCCCCCCPP/rB:;;;d1;s1;d2;s2;d3;s3;d4;s4;;s5;d6;s7;d8;s9;d10;s11;d12;s13;s13;d14s15;d16s17;d18s19;d20s21;s22s24s25;s23s26s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6/rA:6CCCCOO/rB:d1;;s3;s3;s2s4;/rC:;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-K+K+/rB:d1;s1;s1;;;/rC:;;;;;;!0/N:1/rA:1Cl/rB:/rC:;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16/rA:16CCCCCCCCCCCCFOOO/rB:;;s3;s3;;;;s1;d6s7s9;s6d8;d7s8;s11;d9;s2s4;s5s12;/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/rA:1O/rB:/rC:;

Long-RInChIKey=SA-FUHFF-GTMIQEQXGBXXBT-UHFFFAOYSA-N-LVEYOSJUKRVCCF-UHFFFAOYSA-N-VUIWJRYTWUGOOF-UHFFFAOYSA-N-BWHMMNNQKKPAPP-UHFFFAOYSA-L-VEXZGXHMUGYJMC-UHFFFAOYSA-N--FABMDQCWKDYFPD-UHFFFAOYSA-N--YJVFFLUZDVXJQI-UHFFFAOYSA-L-XLYOFNOQVPJJNP-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-JXGWCVLLCP-FABMDQCWKD-KERFWVYMYZ-LUHFF-NUHFF-LUHFF-ZZZ

Web-RInChIKey=JPHHDUFPAMNPKHNAH-JUHFFFADPSCTJSA