70559881 -OEChem-04262405312D 93 93 0 1 0 0 0 0 0999 V2000 9.8660 -0.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -0.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -1.9641 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0000 -1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -2.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5000 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0000 3.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -4.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0000 3.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5000 4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5000 4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0000 4.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8923 -2.5747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5826 -2.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4174 -2.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1077 -2.5747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6077 -0.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9174 -0.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0826 -0.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3923 -0.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3923 -1.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0826 -1.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9174 -1.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6077 -1.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1077 0.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4174 -0.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8923 -0.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5826 -0.4441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 -0.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 0.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6077 1.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9174 0.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 -0.4441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 -0.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4030 -3.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5970 -3.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3923 0.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0826 0.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1077 2.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4174 1.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8923 0.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5826 1.2880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 0.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 1.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6077 2.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9174 2.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4030 -4.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5970 -4.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3923 1.7554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0826 2.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 0.1559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 0.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 0.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1077 3.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4174 3.4441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -5.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8923 2.6215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5826 3.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 1.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 2.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6077 4.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9174 4.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3923 3.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0826 3.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5369 4.6541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3100 5.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4631 5.2741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 74 1 0 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 7 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 9 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 10 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 17 2 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 14 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 13 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 13 15 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 16 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 19 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 22 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 24 1 0 0 0 0 17 58 1 0 0 0 0 18 25 2 0 0 0 0 18 59 1 0 0 0 0 19 20 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 21 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 23 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 27 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 26 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 29 2 0 0 0 0 24 70 1 0 0 0 0 25 29 1 0 0 0 0 25 71 1 0 0 0 0 26 28 1 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 27 31 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 28 30 1 0 0 0 0 28 77 1 0 0 0 0 28 78 1 0 0 0 0 29 79 1 0 0 0 0 30 32 1 0 0 0 0 30 80 1 0 0 0 0 30 81 1 0 0 0 0 31 34 1 0 0 0 0 31 82 1 0 0 0 0 31 83 1 0 0 0 0 32 33 1 0 0 0 0 32 84 1 0 0 0 0 32 85 1 0 0 0 0 33 35 1 0 0 0 0 33 86 1 0 0 0 0 33 87 1 0 0 0 0 34 88 1 0 0 0 0 34 89 1 0 0 0 0 34 90 1 0 0 0 0 35 91 1 0 0 0 0 35 92 1 0 0 0 0 35 93 1 0 0 0 0 M END > 70559881 > 1 > 468 > 2 > 1 > 25 > AAADcfB8MAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADgCAmAAyCIAAAgCIAiDSCAACAAAgAAAIiAEAAIgIIDKAFRCAYAAkwAEIiAeIyOCPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-nonyl-2-phenyl-octadecanoic acid > 2-nonyl-2-phenyloctadecanoic acid > 2-nonyl-2-phenyloctadecanoic acid > 2-nonyl-2-phenyloctadecanoic acid > 2-nonyl-2-phenyl-octadecanoic acid > 2-nonyl-2-phenyl-stearic acid > InChI=1S/C33H58O2/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-26-30-33(32(34)35,31-27-23-22-24-28-31)29-25-20-18-10-8-6-4-2/h22-24,27-28H,3-21,25-26,29-30H2,1-2H3,(H,34,35) > JGALVYKLXQDIBG-UHFFFAOYSA-N > 14.4 > 486.44368109 > C33H58O2 > 486.8 > CCCCCCCCCCCCCCCCC(CCCCCCCCC)(C1=CC=CC=C1)C(=O)O > CCCCCCCCCCCCCCCCC(CCCCCCCCC)(C1=CC=CC=C1)C(=O)O > 37.3 > 486.44368109 > 0 > 35 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 24 8 18 25 8 24 29 8 25 29 8 3 5 3 8 17 8 8 18 8 $$$$