RInChI=1.00.1S/C12H16ClN3O3/c1-12(2)7-18-8-9(16-3-5-17-6-4-16)14-11(13)15-10(8)19-12/h3-7H2,1-2H3!C14H20BNO3/c1-10(17)16-12-8-6-11(7-9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17)!CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C20H24N4O4/c1-13(25)21-15-6-4-14(5-7-15)17-22-18(24-8-10-26-11-9-24)16-19(23-17)28-20(2,3)12-27-16/h4-7H,8-12H2,1-3H3,(H,21,25)<>2C18H15P.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2!C2H3N/c1-2-3/h1H3/d+

RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19/E:(1,2)(3,4)(5,6)/rA:19CCCCCCCCCCCCClNNNOOO/rB:;;;s3;s4;;;d8;s8;;s1s2s7;s11;s9d11;d10s11;s3s4s9;s5s6;s7s8;s10s12;/rC:;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19/E:(2,3,4,5)(6,7)(8,9)(13,14)(18,19)/rA:19CCCCCCCCCCCCCCBNOOO/rB:;;;;;;s6;d7;s1;d6s7;d8s9;s2s3;s4s5s13;s11;d10s12;s10;s13s15;s14s15;/rC:;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-Na+Na+/rB:d1;s1;s1;;;/rC:;;;;;;<>1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:28CCCCCCCCCCCCCCCCCCCCNNNNOOOO/rB:;;;;s4;d5;;;s8;s9;;s1;d4s5;d6s7;;s14;d16;s16;s2s3s12;d13s15;d17s18;s17d19;s8s9s18;s13;s10s11;s12s16;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19;20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38;39;40;41/E:2*(1,2,3)(4,5,6,7,8,9)(10,11,12,13,14,15)(16,17,18);;;/rA:41CCCCCCCCCCCCCCCCCCPCCCCCCCCCCCCCCCCCCPCl-Cl-Pd+2/rB:;;d1;s1;d2;s2;d3;s3;s4;d5;s6;d7;s8;d9;d10s11;d12s13;d14s15;s16s17s18;;;;d20;s20;d21;s21;d22;s22;s23;d24;s25;d26;s27;d28;d29s30;d31s32;d33s34;s35s36s37;;;;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3/rA:3CCN/rB:s1;t2;/rC:;;;

Long-RInChIKey=SA-FUHFF-CONVEBNDJBBFOO-UHFFFAOYSA-N-ANGKVUVZQVUVJO-UHFFFAOYSA-N-CDBYLPFSWZWCQE-UHFFFAOYSA-L--IDWDXEKCUXUHJM-UHFFFAOYSA-N--YNHIGQDRGKUECZ-UHFFFAOYSA-L-WEVYAHXRMPXWCK-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-BSTOAPCSEM-IDWDXEKCUX-UPPRHHPHBI-LUHFF-NUHFF-LUHFF-ZZZ

Web-RInChIKey=GSIZAVFOIRMLRCIRF-JUHFFFADPSCTJSA