RInChI=1.00.1S/2C4H9.Al.H/c2*1-4(2)3;;/h2*4H,1H2,2-3H3;;/q;;+1;-1!C7H7NO3/c1-11-7(10)5-2-3-8-6(9)4-5/h2-4H,1H3,(H,8,9)!CH4O/c1-2/h2H,1H3!H2O/h1H2<>C6H7NO2/c8-4-5-1-2-7-6(9)3-5/h1-3,8H,4H2,(H,7,9)<>C4H8O/c1-2-4-5-3-1/h1-4H2/d+
RAuxInfo=1.00.1/0/N:1,2,3,4;5,6,7,8;9;10/E:2*(2,3);;/CRV:2*1d;;/rA:10C.2CCCC.2CCCAl0+H-/rB:;;s1s2s3;;;;s5s6s7;;;/rC:;;;;;;;;;;!1/N:1,2,3,4,5,6,7,8,9,10,11/rA:11CCCCCCCNOOO/rB:;d2;;s2d4;s4;s5;s3d6;s6;d7;s1s7;/rC:;;;;;;;;;;;!0/N:1,2/rA:2CO/rB:s1;/rC:;;!0/N:1/rA:1O/rB:/rC:;<>1/N:1,2,3,4,5,6,7,8,9/rA:9CCCCCCNOO/rB:d1;;;s1d3s4;s3;s2d6;s4;s6;/rC:;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)(3,4)/rA:5CCCCO/rB:s1;s1;s2;s3s4;/rC:;;;;;
Long-RInChIKey=SA-FUHFF-VKYABZXPNHHDSD-UHFFFAOYSA-N-DATHOCDTDDUESC-UHFFFAOYSA-N-OKKJLVBELUTLKV-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N--NVWMXLBVGGYAQW-UHFFFAOYSA-N--WYURNTSHIVDZCO-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-KFWXYAMYZQ-NVWMXLBVGG-WYURNTSHIV-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=WITLGFLKTSFIQQYOT-NUHFFFADPSCTJSA