RInChI=1.00.1S/C22H29NO3S/c1-14-5-7-15(8-6-14)20(24)23(16-9-10-16)18-13-17(11-12-22(2,3)4)27-19(18)21(25)26/h13-16H,5-10H2,1-4H3,(H,25,26)<>C23H31NO3S/c1-15-6-8-16(9-7-15)21(25)24(17-10-11-17)19-14-18(12-13-23(2,3)4)28-20(19)22(26)27-5/h14-17H,6-11H2,1-5H3!C4H8O/c1-2-4-5-3-1/h1-4H2!ClH/h1H!Li.2H2O/h;2*1H2/q+1;;/p-1<>CH2Cl2/c2-1-3/h1H2!H2O/h1H2/d-
RAuxInfo=1.00.1/1/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/E:(2,3,4)(5,6)(7,8)(9,10)(25,26)/rA:27CCCCCCCCCCCCCCCCCCCCCCNOOOS/rB:;;;;;s5;s6;;s9;;t11;;s1s5s6;s7s8;s9s10;s11d13;s13;d18;s15;s19;s2s3s4s12;s16s18s20;d20;d21;s21;s17s19;/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/E:(2,3,4)(6,7)(8,9)(10,11)/rA:28CCCCCCCCCCCCCCCCCCCCCCCNOOOS/rB:;;;;;;s6;s7;;s10;;t12;;s1s6s7;s8s9;s10s11;s12d14;s14;d19;s16;s20;s2s3s4s13;s17s19s21;d21;d22;s5s22;s18s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5/E:(1,2)(3,4)/rA:5CCCCO/rB:s1;s1;s2;s3s4;/rC:;;;;;!0/N:1/rA:1Cl/rB:/rC:;!1/N:1;2;3/rA:3Li+O-O/rB:;;/rC:;;;<>0/N:1,2,3/E:(2,3)/rA:3CClCl/rB:s1;s1;/rC:;;;!0/N:1/rA:1O/rB:/rC:;
Long-RInChIKey=SA-BUHFF-NEOQNECDFRIGRH-UHFFFAOYSA-N--YDERRVOBCPFKIC-UHFFFAOYSA-N-WYURNTSHIVDZCO-UHFFFAOYSA-N-VEXZGXHMUGYJMC-UHFFFAOYSA-N-GLXDVVHUTZTUQK-UHFFFAOYSA-M--YMWUJEATGCHHMB-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N
Short-RInChIKey=SA-BUHFF-NEOQNECDFR-PDEKGODTPR-LEKFFBIZBV-NUHFF-MUHFF-NUHFF-ZZZ
Web-RInChIKey=PIISOPBFLNYPPBXGF-MUHFFFADPSCTJSA