70467169 -OEChem-05122403182D 68 69 0 1 0 0 0 0 0999 V2000 9.7942 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 6.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 5.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 5.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 6.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 8.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 7.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 7.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 8.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 9.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 9.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 9.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -9.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -8.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -8.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -9.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 48 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 30 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 13 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 52 1 0 0 0 0 17 19 2 0 0 0 0 17 53 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 58 1 0 0 0 0 24 27 2 0 0 0 0 24 59 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 2 3 0 0 0 28 62 1 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 31 32 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 M END > 70467169 > 1 > 512 > 5 > 1 > 16 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADBSgmAIyDoAABgCIAiDSCAACCAAgIAAIiAAGCMgMNyKEMRqCeCClwBUIqYfA4LwOQAAACAAAAACAAAAQAAAAAAAAAAAAAA== > ethyl 3-[4-[[3-(4-hydroxynonoxy)phenoxy]methyl]phenyl]prop-2-enoate > 3-[4-[[3-(4-hydroxynonoxy)phenoxy]methyl]phenyl]-2-propenoic acid ethyl ester > ethyl 3-[4-[[3-(4-hydroxynonoxy)phenoxy]methyl]phenyl]prop-2-enoate > ethyl 3-[4-[[3-(4-hydroxynonoxy)phenoxy]methyl]phenyl]prop-2-enoate > ethyl 3-[4-[[3-(4-oxidanylnonoxy)phenoxy]methyl]phenyl]prop-2-enoate > 3-[4-[[3-(4-hydroxynonoxy)phenoxy]methyl]phenyl]acrylic acid ethyl ester > InChI=1S/C27H36O5/c1-3-5-6-9-24(28)10-8-19-31-25-11-7-12-26(20-25)32-21-23-15-13-22(14-16-23)17-18-27(29)30-4-2/h7,11-18,20,24,28H,3-6,8-10,19,21H2,1-2H3 > LXAQORNTDVDAMU-UHFFFAOYSA-N > 6.4 > 440.25627424 > C27H36O5 > 440.6 > CCCCCC(CCCOC1=CC(=CC=C1)OCC2=CC=C(C=C2)C=CC(=O)OCC)O > CCCCCC(CCCOC1=CC(=CC=C1)OCC2=CC=C(C=C2)C=CC(=O)OCC)O > 65 > 440.25627424 > 0 > 32 > 0 > 1 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 6 1 3 15 16 8 15 17 8 16 18 8 17 19 8 18 20 8 19 20 8 22 23 8 22 24 8 23 26 8 24 27 8 25 26 8 25 27 8 28 29 1 $$$$