RInChI=1.00.1S/C11H8BrN/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-8H<>C5H3Br2N/c6-4-1-2-8-5(7)3-4/h1-3H!C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H!CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3!C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3!H2O/h1H2/d-

RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13/E:(2,3)(4,5)/rA:13CCCCCCCCCCCBrN/rB:d1;s1;s2;d3;;d6;;d4s5;s6d8;s8s9;s10;s7d11;/rC:;;;;;;;;;;;;;<>0/N:1,2,3,4,5,6,7,8/rA:8CCCCCBrBrN/rB:d1;;s1d3;s3;s4;s5;s2d5;/rC:;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9/E:(2,3)(4,5)(8,9)/rA:9CCCCCCBOO/rB:d1;s1;s2;d3;d4s5;s6;s7;s7;/rC:;;;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-K+K+/rB:d1;s1;s1;;;/rC:;;;;;;<>0/N:1,2,3,4,5,6/E:(1,2)(3,4)(5,6)/rA:6CCCCOO/rB:;;s3;s1s3;s2s4;/rC:;;;;;;!0/N:1,2,3,4,5,6/rA:6CCCCOO/rB:;s1;s2;d4;s3s4;/rC:;;;;;;!0/N:1/rA:1O/rB:/rC:;

Long-RInChIKey=SA-BUHFF-HCQHVQSQHXZRGA-UHFFFAOYSA-N--PCMMSLVJMKQWMQ-UHFFFAOYSA-N-HXITXNWTGFUOAU-UHFFFAOYSA-N-BWHMMNNQKKPAPP-UHFFFAOYSA-L--XTHFKEDIFFGKHM-UHFFFAOYSA-N-XEKOWRVHYACXOJ-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N

Short-RInChIKey=SA-BUHFF-HCQHVQSQHX-UXOZLJWZFM-UTLBTJQTZG-NUHFF-LUHFF-NUHFF-ZZZ

Web-RInChIKey=BUNJMJKFNIYBBYDPE-LUHFFFADPSCTJSA