62061 -OEChem-03192404272D 75 75 0 0 0 0 0 0 0999 V2000 7.4040 4.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 13.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0024 0.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3196 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 5.9847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 11.9847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 8.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 10.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 9.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 8.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 8.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 9.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 11.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 7.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 7.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 10.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 11.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 6.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 11.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 5.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 12.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5024 2.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5024 2.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1259 1.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8789 1.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9034 0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1015 0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 9.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 10.7947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9240 10.5673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5255 9.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6127 8.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2141 9.0673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 9.0673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6594 8.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4696 9.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2666 9.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 12.0673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3915 11.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2141 6.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6127 7.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6594 7.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 6.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9462 9.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3447 10.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2666 12.4597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4696 12.4597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 6.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 11.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0610 2.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3645 2.9847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6404 2.9847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9438 2.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6845 1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5125 2.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4924 2.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3203 1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0414 0.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5234 0.6235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 6.2674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 6.2674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 7.7173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 7.7173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 7.7173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 7.7173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 6.2674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 6.2674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 6.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 23 2 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 29 2 0 0 0 0 5 32 1 0 0 0 0 5 74 1 0 0 0 0 6 33 1 0 0 0 0 6 75 1 0 0 0 0 7 20 1 0 0 0 0 7 22 2 0 0 0 0 8 21 1 0 0 0 0 8 23 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 18 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 19 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 20 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 20 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 21 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 21 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 27 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 28 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 29 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 33 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 M END > 62061 > 1 > 438 > 8 > 2 > 7 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAABIAAAAAAAAAAHgAACAAADSjhgAYACAIABgAoAACQHAAAAAAAAAAAAAEAAAAAEBIAgAACQAAEAAAAAAHYyMAOAAAAAAAAAAAQAAAAAAAAAAAAAAAAAA== > butane-1,4-diol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;oxepan-2-one > butane-1,4-diol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;2-oxepanone > butane-1,4-diol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;oxepan-2-one > butane-1,4-diol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;oxepan-2-one > butane-1,4-diol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;oxepan-2-one > butane-1,4-diol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;oxepan-2-one > InChI=1S/C15H22N2O2.C6H10O2.C4H10O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;7-6-4-2-1-3-5-8-6;5-3-1-2-4-6/h12-15H,1-9H2;1-5H2;5-6H,1-4H2 > ZECDNEGVMOSZJI-UHFFFAOYSA-N > 466.30428706 > C25H42N2O6 > 466.6 > C1CCC(=O)OCC1.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(CCO)CO > C1CCC(=O)OCC1.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(CCO)CO > 126 > 466.30428706 > 0 > 33 > 0 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 $$$$