RInChI=1.00.1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4-/m0/s1<>C4H9BrO/c1-3(5)4(2)6/h3-4,6H,1-2H3/t3-,4+/m1/s1!Na.H2O/h;1H2/q+1;/p-1<>ClH.Na/h1H;/q;+1/p-1!ClH/h1H!H2O/h1H2/d-
RAuxInfo=1.00.1/0/N:3,5,2,1,4/E:(1,2)(3,4)/it:im/rA:5nCCCOC/rB:s1;P2;s1s2;N1;/rC:3.8966,-.151,0;4.7216,-.151,0;5.4361,-.5635,0;4.3091,.5635,0;3.1822,-.5635,0;<>0/N:4,1,3,2,6,5/it:im/rA:6nCCCCOBr/rB:s1;s2;s3;N2;P3;/rC:-.825,-.7557,0;-.4125,-.0412,0;.4125,-.0412,0;.825,.6733,0;-.626,.7557,0;.825,-.7557,0;!1/N:1;2/rA:2nNaO/rB:s1;/rC:-.4125,0,0;.4125,0,0;<>1/N:2;1/rA:2nNa+Cl-/rB:;/rC:.4571,-.5804,0;-.3679,-.5804,0;!0/N:1/rA:2nClH/rB:s1;/rC:.7482,-.5134,0;1.5732,-.5134,0;!0/N:2/rA:3nHOH/rB:s1;s2;/rC:-.2457,.3313,0;.4688,.7438,0;1.1832,.3313,0;
Long-RInChIKey=SA-BUHFF-PQXKWPLDPFFDJP-IMJSIDKUSA-N--JCYSVJNMXBWPHS-DMTCNVIQSA-N-HEMHJVSKTPXQMS-UHFFFAOYSA-M--FAPWRFPIFSIZLT-UHFFFAOYSA-M-VEXZGXHMUGYJMC-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N
Short-RInChIKey=SA-BUHFF-PQXKWPLDPF-LSZRVNUIRJ-OGQHICMQSQ-NFPNW-MCQMH-MUHFF-ZZZ
