RInChI=1.00.1S/C12H14ClN/c1-12(2,3)7-6-9-4-5-10(14)8-11(9)13/h4-5,8H,14H2,1-3H3!CCl2S/c2-1(3)4!CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2!ClH/h1H<>C13H12ClNS/c1-13(2,3)7-6-10-4-5-11(15-9-16)8-12(10)14/h4-5,8H,1-3H3<>CH2Cl2/c2-1-3/h1H2!H2O/h1H2/d+
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14/E:(1,2,3)/rA:14CCCCCCCCCCCCClN/rB:;;;d4;;t6;;s4s6;s5d8;s8d9;s1s2s3s7;s11;s10;/rC:;;;;;;;;;;;;;;!0/N:1,2,3,4/E:(2,3)/rA:4CClClS/rB:s1;s1;d1;/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:1Cl/rB:/rC:;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16/E:(1,2,3)/rA:16CCCCCCCCCCCCCClNS/rB:;;;d4;;t6;;;s4s6;s5d8;s8d10;s1s2s3s7;s12;d9s11;d9;/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-FUHFF-CBRIDNWWZXILEA-UHFFFAOYSA-N-ZWZVWGITAAIFPS-UHFFFAOYSA-N-VTYYLEPIZMXCLO-UHFFFAOYSA-L-VEXZGXHMUGYJMC-UHFFFAOYSA-N--FGWTWAUUNYZYCU-UHFFFAOYSA-N--YMWUJEATGCHHMB-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-SKWGMBFJRM-FGWTWAUUNY-LEKFFBIZBV-LUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=GMLNOZMNAGRACRLGA-LUHFFFADPSCTJSA