RInChI=1.00.1S/C14H23NOS2/c1-13(2,3)17-11-7-10(15)8-12(9-11)18(16)14(4,5)6/h7-9H,15H2,1-6H3!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!ClH/h1H!H2O/h1H2<>C15H21NOS3/c1-14(2,3)19-12-7-11(16-10-18)8-13(9-12)20(17)15(4,5)6/h7-9H,1-6H3/d+
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18/E:(1,2,3)(4,5,6)/rA:18CCCCCCCCCCCCCCNOSS/rB:;;;;;;;;d7s8;s7d9;d8s9;s1s2s3;s4s5s6;s10;;s11s13;s12s14d16;/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:1Cl/rB:/rC:;!0/N:1/rA:1O/rB:/rC:;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20/E:(1,2,3)(4,5,6)/rA:20CCCCCCCCCCCCCCCNOSSS/rB:;;;;;;;;;d7s8;s7d9;d8s9;s1s2s3;s4s5s6;d10s11;;d10;s12s14;s13s15d17;/rC:;;;;;;;;;;;;;;;;;;;;
Long-RInChIKey=SA-FUHFF-ICFSDDVMGSOOJB-UHFFFAOYSA-N-ZWZVWGITAAIFPS-UHFFFAOYSA-N-YMWUJEATGCHHMB-UHFFFAOYSA-N-VTYYLEPIZMXCLO-UHFFFAOYSA-L-VEXZGXHMUGYJMC-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N--HDWARPIGEGLYFM-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-BPBVEZLFMC-HDWARPIGEG-UHFFFADPSC-LUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=IIXXFCHAAUSCHMLPE-LUHFFFADPSCTJSA