9952916 -OEChem-04182420582D 68 69 0 0 0 0 0 0 0999 V2000 7.2622 1.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7885 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6545 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5205 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3865 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2526 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1186 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5889 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7919 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6579 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4549 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9258 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7229 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3210 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5239 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8569 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0598 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3899 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1870 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1938 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9908 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0530 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2560 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1248 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3278 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1220 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9190 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4617 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2588 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7851 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9880 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3928 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8540 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6511 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7297 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4286 0.9457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6555 1.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8086 2.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -1.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 2.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 1.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -0.0057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -1.0772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 3 24 2 0 0 0 0 4 21 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 9 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 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 17 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 19 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 20 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 27 2 0 0 0 0 25 63 1 0 0 0 0 26 28 2 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 M END > 9952916 > 1 > 477 > 4 > 0 > 16 > AAADcfB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgAAAAAADAihmAIyyIIABACoAiTSTACCAAAkAgAIiAEAbMgYJjqAtZmgMYBmwAEM6ceYyOCOCAACAAACAAAQAAQAAAQAAAAAAAAAAA== > 2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one > 2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one > 2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one > 2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one > 2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one > 2-cetyloxy-6-methyl-3,1-benzoxazin-4-one > InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3 > MVCQKIKWYUURMU-UHFFFAOYSA-N > 9.8 > 401.29299411 > C25H39NO3 > 401.6 > CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C=C2)C)C(=O)O1 > CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C=C2)C)C(=O)O1 > 47.9 > 401.29299411 > 0 > 29 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 2 21 8 2 24 8 22 23 8 22 26 8 23 24 8 23 25 8 25 27 8 26 28 8 27 28 8 4 21 8 4 22 8 $$$$