70605625 -OEChem-05012417472D 65 66 0 0 0 0 0 0 0999 V2000 5.4641 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -3.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -3.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -5.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -5.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -5.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 1.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 0.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 4.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 5.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 2.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 3.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 6.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 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 28 1 0 0 0 0 4 30 1 0 0 0 0 4 33 1 0 0 0 0 5 30 2 0 0 0 0 6 32 1 0 0 0 0 6 65 1 0 0 0 0 7 32 2 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 14 1 0 0 0 0 9 19 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 21 2 0 0 0 0 15 20 1 0 0 0 0 16 22 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 24 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 23 2 0 0 0 0 19 26 1 0 0 0 0 19 46 1 0 0 0 0 20 25 2 0 0 0 0 20 47 1 0 0 0 0 21 27 1 0 0 0 0 21 48 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 M END > 70605625 > 1 > 645 > 7 > 1 > 14 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADASgmAIyDoAABgCIAiDSCAICCAAgIAAIiAFGCMgNJyKEMR6CeCClwBUKuQeA4KwOAAAACAAIAAAAAAAQABAAAAAAAAAAAA== > (Z)-3-[2-ethyl-3-[3-(2-propylphenoxy)propoxy]phenoxy]-4-methoxy-2-methyl-4-oxo-but-2-enoic acid > (Z)-3-[2-ethyl-3-[3-(2-propylphenoxy)propoxy]phenoxy]-4-methoxy-2-methyl-4-oxo-2-butenoic acid > (Z)-3-[2-ethyl-3-[3-(2-propylphenoxy)propoxy]phenoxy]-4-methoxy-2-methyl-4-oxobut-2-enoic acid > (Z)-3-[2-ethyl-3-[3-(2-propylphenoxy)propoxy]phenoxy]-4-methoxy-2-methyl-4-oxobut-2-enoic acid > (Z)-3-[2-ethyl-3-[3-(2-propylphenoxy)propoxy]phenoxy]-4-methoxy-2-methyl-4-oxidanylidene-but-2-enoic acid > (Z)-3-[2-ethyl-3-[3-(2-propylphenoxy)propoxy]phenoxy]-4-keto-4-methoxy-2-methyl-but-2-enoic acid > InChI=1S/C26H32O7/c1-5-11-19-12-7-8-13-21(19)31-16-10-17-32-22-14-9-15-23(20(22)6-2)33-24(26(29)30-4)18(3)25(27)28/h7-9,12-15H,5-6,10-11,16-17H2,1-4H3,(H,27,28)/b24-18- > SYCTZNRXOOGUDY-MOHJPFBDSA-N > 6.1 > 456.21480336 > C26H32O7 > 456.5 > CCCC1=CC=CC=C1OCCCOC2=C(C(=CC=C2)OC(=C(C)C(=O)O)C(=O)OC)CC > CCCC1=CC=CC=C1OCCCOC2=C(C(=CC=C2)O/C(=C(/C)\C(=O)O)/C(=O)OC)CC > 91.3 > 456.21480336 > 0 > 33 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 8 11 18 8 14 21 8 15 20 8 18 23 8 19 26 8 20 25 8 21 27 8 23 25 8 26 27 8 9 14 8 9 19 8 $$$$