RInChI=1.00.1S/C11H14N2O2/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8,12H2!CCl2S/c2-1(3)4!CH2Cl2/c2-1-3/h1H2!CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2!H2O/h1H2<>C12H12N2O2S/c15-12(14-5-7-16-8-6-14)10-1-3-11(4-2-10)13-9-17/h1-4H,5-8H2/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)(3,4)(5,6)(7,8)/rA:15CCCCCCCCCCCNNOO/rB:;s1;d2;;;s5;s6;d1s2;d3s4;s9;s10;s5s6s11;d11;s7s8;/rC:;;;;;;;;;;;;;;;!0/N:1,2,3,4/E:(2,3)/rA:4CClClS/rB:s1;s1;d1;/rC:;;;;!0/N:1,2,3/E:(2,3)/rA:3CClCl/rB:s1;s1;/rC:;;;!1/N:1,2,3,4;5/E:(2,3,4);/rA:5COO-O-Ca+2/rB:d1;s1;s1;;/rC:;;;;;!0/N:1/rA:1O/rB:/rC:;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17/E:(1,2)(3,4)(5,6)(7,8)/rA:17CCCCCCCCCCCCNNOOS/rB:;s1;d2;;;s5;s6;;d1s2;d3s4;s10;d9s11;s5s6s12;d12;s7s8;d9;/rC:;;;;;;;;;;;;;;;;;
Long-RInChIKey=SA-FUHFF-WEHVQIQNGXWTME-UHFFFAOYSA-N-ZWZVWGITAAIFPS-UHFFFAOYSA-N-YMWUJEATGCHHMB-UHFFFAOYSA-N-VTYYLEPIZMXCLO-UHFFFAOYSA-L-XLYOFNOQVPJJNP-UHFFFAOYSA-N--YZXUDAYEXWZYKZ-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-KMWNPYPDVV-YZXUDAYEXW-UHFFFADPSC-LUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=VFRKJRGBSYGXHQRKS-LUHFFFADPSCTJSA