69584561 -OEChem-05102407432D 90 93 0 0 0 0 0 0 0999 V2000 15.0706 2.1528 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.6542 1.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6542 -2.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1542 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0706 0.5433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6542 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1542 0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1542 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1542 0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1542 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6542 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6542 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1542 2.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1542 0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1542 2.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1542 0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6542 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1542 -2.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1542 -2.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6542 -3.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 2.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 2.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 4.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 4.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 4.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 4.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 2.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 2.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 4.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 4.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 4.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 4.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 2.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 2.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.1581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.3111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 2.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.4681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0716 -0.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7618 -0.9946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2368 -0.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5465 0.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7368 0.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0465 1.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5716 -1.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2618 -1.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5716 0.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2618 -0.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7368 -1.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0465 -0.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.2719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4642 2.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4642 -0.0549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8442 2.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8442 -0.0549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1542 -3.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.7742 -2.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1542 -2.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0342 -3.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9642 -4.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 33 1 0 0 0 0 2 26 1 0 0 0 0 2 34 1 0 0 0 0 3 27 1 0 0 0 0 3 40 1 0 0 0 0 4 40 2 0 0 0 0 5 31 1 0 0 0 0 5 33 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 9 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 10 1 0 0 0 0 8 48 1 0 0 0 0 8 49 1 0 0 0 0 9 11 1 0 0 0 0 9 50 1 0 0 0 0 9 51 1 0 0 0 0 10 12 1 0 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 13 1 0 0 0 0 11 54 1 0 0 0 0 11 55 1 0 0 0 0 12 14 1 0 0 0 0 12 56 1 0 0 0 0 12 57 1 0 0 0 0 13 15 1 0 0 0 0 13 58 1 0 0 0 0 13 59 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 16 22 1 0 0 0 0 16 63 1 0 0 0 0 17 23 2 0 0 0 0 17 64 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 65 1 0 0 0 0 18 66 1 0 0 0 0 19 24 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 21 69 1 0 0 0 0 21 70 1 0 0 0 0 22 73 1 0 0 0 0 23 74 1 0 0 0 0 24 27 1 0 0 0 0 24 71 1 0 0 0 0 24 72 1 0 0 0 0 25 28 2 0 0 0 0 25 30 1 0 0 0 0 26 75 1 0 0 0 0 26 76 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 28 29 1 0 0 0 0 28 79 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 30 80 1 0 0 0 0 31 32 1 0 0 0 0 32 81 1 0 0 0 0 33 35 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 38 1 0 0 0 0 36 82 1 0 0 0 0 37 39 2 0 0 0 0 37 83 1 0 0 0 0 38 84 1 0 0 0 0 39 85 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 M END > 69584561 > 1 > 788 > 5 > 0 > 20 > AAADcfB+MABAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgQAAAAADAyh3gIyz7IIFAisAyTyTACD+KBhKjhImD02bNgMJqLksZuGOCjkwBHo6IeQ0MIO6AAAgAAAAQDQAAEAAAACAAAAAAAAAA== > 6-[4-[6-(4-nonylphenyl)-1,3-benzothiazol-2-yl]phenoxy]hexyl 2-methylprop-2-enoate > 2-methyl-2-propenoic acid 6-[4-[6-(4-nonylphenyl)-1,3-benzothiazol-2-yl]phenoxy]hexyl ester > 6-[4-[6-(4-nonylphenyl)-1,3-benzothiazol-2-yl]phenoxy]hexyl 2-methylprop-2-enoate > 6-[4-[6-(4-nonylphenyl)-1,3-benzothiazol-2-yl]phenoxy]hexyl 2-methylprop-2-enoate > 6-[4-[6-(4-nonylphenyl)-1,3-benzothiazol-2-yl]phenoxy]hexyl 2-methylprop-2-enoate > 2-methylacrylic acid 6-[4-[6-(4-nonylphenyl)-1,3-benzothiazol-2-yl]phenoxy]hexyl ester > InChI=1S/C38H47NO3S/c1-4-5-6-7-8-9-12-15-30-16-18-31(19-17-30)33-22-25-35-36(28-33)43-37(39-35)32-20-23-34(24-21-32)41-26-13-10-11-14-27-42-38(40)29(2)3/h16-25,28H,2,4-15,26-27H2,1,3H3 > OGLYSUMRKHVYAK-UHFFFAOYSA-N > 12.5 > 597.32766553 > C38H47NO3S > 597.9 > CCCCCCCCCC1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(S3)C4=CC=C(C=C4)OCCCCCCOC(=O)C(=C)C > CCCCCCCCCC1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(S3)C4=CC=C(C=C4)OCCCCCCOC(=O)C(=C)C > 76.7 > 597.32766553 > 0 > 43 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 29 8 1 33 8 14 16 8 14 17 8 16 22 8 17 23 8 20 22 8 20 23 8 25 28 8 25 30 8 28 29 8 29 31 8 30 32 8 31 32 8 34 36 8 34 37 8 35 38 8 35 39 8 36 38 8 37 39 8 5 31 8 5 33 8 $$$$