RInChI=1.00.1S/C18H24N4O2/c1-12-8-17(19)16-9-14(4-5-18(16)22(12)13(2)23)15-10-20-21(11-15)6-7-24-3/h4-5,9-12,17H,6-8,19H2,1-3H3!C4H9O.Na/c1-4(2,3)5;/h1-3H3;/q-1;+1!C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H<>C24H27ClN4O2/c1-16-11-23(27-21-6-4-5-20(25)13-21)22-12-18(7-8-24(22)29(16)17(2)30)19-14-26-28(15-19)9-10-31-3/h4-8,12-16,23,27H,9-11H2,1-3H3<>3C17H14O.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3*1-14H;;!C4H8O2/c1-2-6-4-3-5-1/h1-4H2/d+
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24/rA:24CCCCCCCCCCCCCCCCCCNNNNOO/rB:;;;d4;;s6;;;;;s1s8;s2;s4d9;s10d11s14;s9;s8s16;s5d16;s17;d10;s6s11s20;s12s13s18;d13;s3s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5;6/E:(1,2,3);/CRV:5-1;/rA:6CCCCO-Na+/rB:;;s1s2s3;s4;;/rC:;;;;;;!0/N:1,2,3,4,5,6,7,8/rA:8CCCCCCBrCl/rB:d1;s1;;s2d4;d3s4;s5;s6;/rC:;;;;;;;;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31/rA:31CCCCCCCCCCCCCCCCCCCCCCCCClNNNNOO/rB:;;;d4;s4;;d7;;s9;;;;;;s1s11;s2;s7d12;s14d15s18;s5d13;d6s13;s12;s11s22;s8d22;s20;d14;s21s23;s9s15s26;s16s17s24;d17;s3s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18;19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36;37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54;55;56/E:3*(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16);;/rA:56CCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCOPdPd/rB:;d1;s1;d2;s2;s3;d4;s5;d6;;;d11;d12;d7s8s11;d9s10s12;s13s14;d17;;;d19;s19;d20;s20;s21;d22;s23;d24;;;d29;d30;d25s26s29;d27s28s30;s31s32;d35;;;d37;s37;d38;s38;s39;d40;s41;d42;;;d47;d48;d43s44s47;d45s46s48;s49s50;d53;;;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6/E:(1,2,3,4)(5,6)/rA:6CCCCOO/rB:s1;;s3;s1s3;s2s4;/rC:;;;;;;
Long-RInChIKey=SA-FUHFF-VSZWZFDBHCIDQR-UHFFFAOYSA-N-MFRIHAYPQRLWNB-UHFFFAOYSA-N-JRGGUPZKKTVKOV-UHFFFAOYSA-N--NBNSQAPJMDEKIB-UHFFFAOYSA-N--CYPYTURSJDMMMP-UHFFFAOYSA-N-RYHBNJHYFVUHQT-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-ZWBKJQPSSA-NBNSQAPJMD-ZGANSILYWN-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=PJGNLFMGFLQGFIPFI-NUHFFFADPSCTJSA