68556525 -OEChem-05142415022D 81 82 0 1 0 0 0 0 0999 V2000 7.6060 4.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.1419 4.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 14.1251 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4098 18.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2759 16.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 9.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1279 13.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5443 13.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6279 8.7950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1279 7.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5443 12.3204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 17.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 18.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6060 18.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0079 17.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4720 17.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1419 18.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3381 18.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2759 17.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1279 9.6610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6279 10.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6279 12.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 10.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6279 10.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 11.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 13.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 12.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1279 11.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6279 12.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 8.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1279 13.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 14.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 12.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 13.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 12.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 7.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1279 7.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0079 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0079 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3414 17.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1385 17.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2725 18.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4754 18.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0045 18.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2075 18.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6094 17.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4065 17.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0735 17.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8706 17.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5404 18.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7434 18.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6480 17.7072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8750 18.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0281 18.7811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 17.9341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8179 10.1980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1648 10.2171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 11.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0910 10.8371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3179 9.9901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7479 11.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 11.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9379 12.7961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 14.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 11.5051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 12.3151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5453 7.7169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2356 7.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1279 7.3090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7479 7.9290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1279 8.5490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2769 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4109 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 2 43 1 0 0 0 0 3 36 1 0 0 0 0 4 21 1 0 0 0 0 4 62 1 0 0 0 0 5 21 2 0 0 0 0 22 6 1 6 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 33 1 0 0 0 0 8 28 1 0 0 0 0 8 33 1 0 0 0 0 9 32 1 0 0 0 0 9 38 1 0 0 0 0 10 32 2 0 0 0 0 11 40 1 0 0 0 0 11 81 1 0 0 0 0 12 29 1 0 0 0 0 12 33 2 0 0 0 0 13 46 3 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 19 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 21 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 22 25 1 0 0 0 0 22 32 1 0 0 0 0 22 63 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 30 2 0 0 0 0 24 31 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 30 1 0 0 0 0 26 67 1 0 0 0 0 27 31 2 0 0 0 0 27 68 1 0 0 0 0 28 29 2 0 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 34 36 2 0 0 0 0 34 71 1 0 0 0 0 35 37 2 0 0 0 0 35 72 1 0 0 0 0 36 37 1 0 0 0 0 37 73 1 0 0 0 0 38 39 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 41 44 2 0 0 0 0 41 45 1 0 0 0 0 41 46 1 0 0 0 0 42 44 1 0 0 0 0 43 45 2 0 0 0 0 44 79 1 0 0 0 0 45 80 1 0 0 0 0 M END > 68556525 > 1 > 709 > 10 > 2 > 13 > AAADcfB/PAAEAwAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgIgCAAADB6jniIyzrIIFkC4B6TyXAaiiCAvZyAImCH3btgfprLHt7+veyjkxBFe/Y/YyKCOIQBAAQAAEABCAIACAAAgAAAAAAAAAA== > ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate;4-hydroxy-3,5-diiodo-benzonitrile;octanoic acid > (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid ethyl ester;4-hydroxy-3,5-diiodobenzonitrile;octanoic acid > ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate;4-hydroxy-3,5-diiodobenzonitrile;octanoic acid > ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate;4-hydroxy-3,5-diiodobenzonitrile;octanoic acid > 3,5-bis(iodanyl)-4-oxidanyl-benzenecarbonitrile;ethyl (2R)-2-[4-[(6-chloranyl-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate;octanoic acid > caprylic acid;(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propionic acid ethyl ester;4-hydroxy-3,5-diiodo-benzonitrile > InChI=1S/C18H16ClNO5.C8H16O2.C7H3I2NO/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18;1-2-3-4-5-6-7-8(9)10;8-5-1-4(3-10)2-6(9)7(5)11/h4-11H,3H2,1-2H3;2-7H2,1H3,(H,9,10);1-2,11H/t11-;;/m1../s1 > HTNZJBGERFKKLZ-NVJADKKVSA-N > 876.01714 > C33H35ClI2N2O8 > 876.9 > CCCCCCCC(=O)O.CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl.C1=C(C=C(C(=C1I)O)I)C#N > CCCCCCCC(=O)O.CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl.C1=C(C=C(C(=C1I)O)I)C#N > 152 > 876.01714 > 0 > 46 > 1 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 12 29 8 12 33 8 23 26 8 23 27 8 24 30 8 24 31 8 26 30 8 27 31 8 28 29 8 28 34 8 29 35 8 34 36 8 35 37 8 36 37 8 40 42 8 40 43 8 41 44 8 41 45 8 42 44 8 43 45 8 22 6 6 8 28 8 8 33 8 $$$$