24759807 Wcorina 10100417223D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 26 26 0 0 0 0 0 0 0999 V2000 -0.0164 1.3556 0.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 -4.1316 -0.0208 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 0.0426 2.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0229 -0.7038 1.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0502 -0.9578 3.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 0.9383 2.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2342 0.9051 2.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -2.0851 1.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -2.7720 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 -0.6911 -1.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0178 -2.0721 -1.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9478 -1.5723 3.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1163 0.2670 2.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2322 1.4450 3.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2516 1.6178 1.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2465 1.6510 1.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 1.4781 3.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1615 0.3238 2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0522 -0.4179 4.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -1.5959 3.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 -2.6300 2.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0171 -0.1462 -2.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0158 -2.6070 -2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8616 1.7609 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 -4.5403 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 25 1 0 0 0 0 2 10 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 13 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > 24759807 > 1 > 278 > 6 > 3 > 1 > AAADceB4OAAAAAAAAAAAACAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADgSAmAAyDoAAAgCIAiDSCAACAAAkIAAIiAEGCMgIJzaCFRKAcUAl4BEImYfIyPCPgQABAAAIAAACAAIAABAAAAAAAAAAAA== > bismuth(2+);2-tert-butylbenzene-1,4-diol;2-oxidobenzoate;hydrate > bismuth(2+);2-tert-butylbenzene-1,4-diol;2-oxidobenzoate;hydrate > bismuth(2+);2-tert-butylbenzene-1,4-diol;2-oxidobenzoate;hydrate > bismuth(2+);2-tert-butylbenzene-1,4-diol;2-oxidanidylbenzoate;hydrate > bismuth(2+);2-tert-butylhydroquinone;2-oxidobenzoate;hydrate > InChI=1S/C10H14O2.C7H6O3.Bi.H2O/c1-10(2,3)8-6-7(11)4-5-9(8)12;8-6-4-2-1-3-5(6)7(9)10;;/h4-6,11-12H,1-3H3;1-4,8H,(H,9,10);;1H2/q;;+2;/p-2 > QBTOPPPWCFUYHS-UHFFFAOYSA-L > 529.106387 > C17H20BiO6 > 529.3175 > CC(C)(C)C1=C(C=CC(=C1)O)O.C1=CC=C(C(=C1)C(=O)[O-])[O-].O.[Bi+2] > CC(C)(C)C1=C(C=CC(=C1)O)O.C1=CC=C(C(=C1)C(=O)[O-])[O-].O.[Bi+2] > 105 > 529.106387 > 0 > 24 > 0 > 0 > 0 > 0 > 0 > 4 > 7 > 1 7 6 > 1 5 255 > 13 16 8 14 15 8 15 17 8 16 17 8 18 19 8 18 20 8 19 21 8 20 22 8 21 23 8 22 23 8 9 13 8 9 14 8 $$$$