70542142 -OEChem-03282403592D 27 28 0 0 0 0 0 0 0999 V2000 5.4641 -2.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 2.0142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -1.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.4953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.4953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 -1.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 0.8125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 -0.8533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 2.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 24 1 0 0 0 0 2 10 1 0 0 0 0 2 25 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 9 14 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 M END > 70542142 > 1 > 227 > 2 > 2 > 2 > AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGgAACAAADASAmAAwBsAAAgCAAiBCAAACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAfAwPAOwAADAAAYAACAAAYAADAAAAAAAAAAAA== > 2-allylnaphthalene-1,5-diol > 2-prop-2-enylnaphthalene-1,5-diol > 2-prop-2-enylnaphthalene-1,5-diol > 2-prop-2-enylnaphthalene-1,5-diol > 2-prop-2-enylnaphthalene-1,5-diol > 2-allylnaphthalene-1,5-diol > InChI=1S/C13H12O2/c1-2-4-9-7-8-10-11(13(9)15)5-3-6-12(10)14/h2-3,5-8,14-15H,1,4H2 > XJHPAIMMKYRJEG-UHFFFAOYSA-N > 3.5 > 200.083729621 > C13H12O2 > 200.23 > C=CCC1=C(C2=C(C=C1)C(=CC=C2)O)O > C=CCC1=C(C2=C(C=C1)C(=CC=C2)O)O > 40.5 > 200.083729621 > 0 > 15 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 11 13 8 12 13 8 3 11 8 3 4 8 3 6 8 4 10 8 4 7 8 5 6 8 5 8 8 7 8 8 $$$$