71505434 -OEChem-04262418182D 49 49 0 1 0 0 0 0 0999 V2000 4.2320 -0.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 4.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 1.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 0.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 1.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 2.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 2.8985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 2.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 2.9675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 3.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 4.6306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 3.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -0.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.7881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 5.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 5.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 2.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 2.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.5611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 34 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 3 11 2 0 0 0 0 4 13 2 0 0 0 0 5 21 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 17 20 2 0 0 0 0 17 39 1 0 0 0 0 18 22 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 M END > 71505434 > 1 > 374 > 5 > 1 > 11 > AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADESgmAIyDoAABgCIAqDSCAICCAAkIAAIiAFGCMgNJjaMNRqCcSAk4BELqYeIzODOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > ethyl 2-hydroxy-2-(4-methoxybenzoyl)octanoate > 2-hydroxy-2-[(4-methoxyphenyl)-oxomethyl]octanoic acid ethyl ester > ethyl 2-hydroxy-2-(4-methoxybenzoyl)octanoate > ethyl 2-hydroxy-2-(4-methoxybenzoyl)octanoate > ethyl 2-(4-methoxyphenyl)carbonyl-2-oxidanyl-octanoate > 2-hydroxy-2-p-anisoyl-caprylic acid ethyl ester > InChI=1S/C18H26O5/c1-4-6-7-8-13-18(21,17(20)23-5-2)16(19)14-9-11-15(22-3)12-10-14/h9-12,21H,4-8,13H2,1-3H3 > SUCPFCPOKYJCER-UHFFFAOYSA-N > 4.1 > 322.17802393 > C18H26O5 > 322.4 > CCCCCCC(C(=O)C1=CC=C(C=C1)OC)(C(=O)OCC)O > CCCCCCC(C(=O)C1=CC=C(C=C1)OC)(C(=O)OCC)O > 72.8 > 322.17802393 > 0 > 23 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 8 1 3 14 16 8 14 17 8 16 19 8 17 20 8 19 21 8 20 21 8 $$$$