70627904 -OEChem-05122421582D 103101 0 1 0 0 0 0 0999 V2000 0.0000 8.4069 0.0000 Sn 0 0 0 0 0 15 0 0 0 0 0 0 8.2331 10.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6972 12.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 11.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9651 12.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2642 3.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8001 5.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5321 3.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6661 4.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 10.2769 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5632 13.7769 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6350 10.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5632 14.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 9.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4292 13.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 10.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4292 15.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 10.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6972 13.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 10.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4292 16.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 8.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2953 13.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 10.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2953 16.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 10.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 11.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9651 10.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 10.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9651 9.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6972 10.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 8.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6972 9.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1302 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0680 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1302 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2642 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9340 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9962 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3982 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6661 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3982 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5321 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 10.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 14.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0335 11.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2365 11.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3512 15.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9526 14.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7131 8.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1116 9.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0307 12.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8278 12.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3705 9.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1675 9.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6413 14.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0398 15.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7656 11.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9685 11.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4851 13.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0866 13.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3015 11.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5044 11.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2172 16.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8187 16.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 9.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 8.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 8.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6053 13.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8322 14.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9853 14.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7269 10.8139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 9.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3469 9.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6053 16.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8322 17.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9853 17.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 8.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2341 10.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 8.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2341 8.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7408 1.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3423 2.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 6.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6695 6.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5196 1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9181 0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8035 4.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6005 4.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6536 2.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0521 1.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5355 4.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3326 4.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6862 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5332 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3062 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 6.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 5.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9351 5.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5321 6.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 18 1 0 0 0 0 2 26 1 0 0 0 0 3 19 1 0 0 0 0 3 27 1 0 0 0 0 4 26 2 0 0 0 0 5 27 2 0 0 0 0 6 38 1 0 0 0 0 6 42 1 0 0 0 0 7 39 1 0 0 0 0 7 43 1 0 0 0 0 8 42 2 0 0 0 0 9 43 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 10 46 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 19 1 0 0 0 0 11 47 1 0 0 0 0 12 16 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 17 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 22 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 23 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 20 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 21 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 20 24 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 25 1 0 0 0 0 21 66 1 0 0 0 0 21 67 1 0 0 0 0 22 68 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 23 73 1 0 0 0 0 24 74 1 0 0 0 0 24 75 1 0 0 0 0 24 76 1 0 0 0 0 25 77 1 0 0 0 0 25 78 1 0 0 0 0 25 79 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 80 1 0 0 0 0 31 33 1 0 0 0 0 31 81 1 0 0 0 0 32 33 2 0 0 0 0 32 82 1 0 0 0 0 33 83 1 0 0 0 0 34 36 1 0 0 0 0 34 38 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 35 37 1 0 0 0 0 35 39 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 36 40 1 0 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 37 41 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 38 92 1 0 0 0 0 38 93 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 40 96 1 0 0 0 0 40 97 1 0 0 0 0 40 98 1 0 0 0 0 41 99 1 0 0 0 0 41100 1 0 0 0 0 41101 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 45 2 0 0 0 0 44102 1 0 0 0 0 45103 1 0 0 0 0 M END > 70627904 > 1 > 604 > 8 > 0 > 26 > AAADcfB8PAAAAAAAAACAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADQCgmAIyCIAABACIAiDSCAACAAAkAAAIiAEACMgIJjKANRiCMQAkwAEIqYfLyKCOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA== > InChI=1S/C24H38O4.C12H20O4.Sn/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2;1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2;/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3;7-8H,3-6,9-10H2,1-2H3;/b;8-7-; > ZQMOMYCZKOOPEA-HXIBTQJOSA-N > 738.315371 > C36H58O8Sn > 737.5 > CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC.CCCCOC(=O)C=CC(=O)OCCCC.[Sn] > CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC.CCCCOC(=O)/C=C\C(=O)OCCCC.[Sn] > 105 > 738.315371 > 0 > 45 > 0 > 2 > 1 > 0 > 0 > 3 > -1 > 1 5 255 > 10 14 3 11 15 3 28 29 8 28 30 8 29 31 8 30 32 8 31 33 8 32 33 8 $$$$