RInChI=1.00.1S/C12H12N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,13H2!C6H3BrClNO/c7-4-1-2-5(6(8)10)9-3-4/h1-3H!CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2!Cl3OP/c1-5(2,3)4<>C18H12BrN3/c19-13-10-11-16(20-12-13)18-21-15-8-4-5-9-17(15)22(18)14-6-2-1-3-7-14/h1-12H<>C4H8O2/c1-2-6-4-3-5-1/h1-4H2!C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3!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:(2,3)(6,7)/rA:14CCCCCCCCCCCCNN/rB:d1;s1;;d4;s2;d3;s4;s5;d6s7;d8;d9s11;s11;s10s12;/rC:;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10/rA:10CCCCCCBrClNO/rB:d1;;s1d3;s2;s5;s4;s6;s3d5;d6;/rC:;;;;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-Na+Na+/rB:d1;s1;s1;;;/rC:;;;;;;!0/N:1,2,3,4,5/E:(1,2,3)/rA:5ClClClOP/rB:;;;s1s2s3d4;/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/E:(2,3)(6,7)/rA:22CCCCCCCCCCCCCCCCCCBrNNN/rB:d1;s1;;d4;s2;d3;s4;s5;;d10;;s10d12;d6s7;d8;s11;d9s15;s16;s13;s12d16;s15d18;s14s17s18;/rC:;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5,6/E:(1,2,3,4)(5,6)/rA:6CCCCOO/rB:s1;;s3;s1s3;s2s4;/rC:;;;;;;!0/N:1,2,3,4,5,6,7/E:(1,2,3)(4,5,6)/rA:7CCCCCCN/rB:;;s1;s2;s3;s4s5s6;/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-NFCPRRWCTNLGSN-UHFFFAOYSA-N-IJJINPZOASSMGD-UHFFFAOYSA-N-CDBYLPFSWZWCQE-UHFFFAOYSA-L-XHXFXVLFKHQFAL-UHFFFAOYSA-N--DRUXKVCDGHBBLX-UHFFFAOYSA-N--RYHBNJHYFVUHQT-UHFFFAOYSA-N-ZMANZCXQSJIPKH-UHFFFAOYSA-N-YMWUJEATGCHHMB-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-HHARNRMZLD-DRUXKVCDGH-YPLLFECHTH-LUHFF-NUHFF-NUHFF-ZZZ

Web-RInChIKey=BZYQDOOPPCLWSRUKR-LUHFFFADPSCTJSA