70629307 -OEChem-05082412562D 121120 0 1 0 0 0 0 0999 V2000 7.1962 -0.5670 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 9.7942 -3.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0670 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 0.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -5.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.5670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 1.9330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 -4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 -6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 -5.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 -6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 -5.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 3.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4282 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8301 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -4.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8301 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9282 -4.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 3.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4282 -5.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3301 3.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -6.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 4.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -4.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -6.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -6.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -7.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0252 -7.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8722 -7.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 -6.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 -4.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2522 -4.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0252 -5.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 6.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 6.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 5.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 5.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 6.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 6.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 5.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 5.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 -7.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -6.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 -6.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4893 -6.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7163 -7.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5632 -7.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5632 -5.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3363 -4.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4893 -4.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 1.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 4.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 4.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 3.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3205 -4.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0108 -3.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2225 1.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9127 1.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5359 -2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8456 -3.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9378 3.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2475 3.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9651 -2.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7382 -1.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8913 -1.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 2.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7101 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 1.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8205 -4.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5108 -4.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7225 2.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4127 2.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0359 -3.6885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3456 -4.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4378 4.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7475 3.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 -4.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1182 -5.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9651 -5.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3301 3.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9501 3.6651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3301 4.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 19 1 0 0 0 0 3 21 1 0 0 0 0 4 46 1 0 0 0 0 5 47 1 0 0 0 0 6 46 2 0 0 0 0 7 47 2 0 0 0 0 8 12 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 14 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 15 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 16 2 0 0 0 0 12 22 1 0 0 0 0 13 17 2 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 2 0 0 0 0 15 17 1 0 0 0 0 15 25 2 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 18 38 1 0 0 0 0 18 42 1 0 0 0 0 18 46 1 0 0 0 0 19 39 1 0 0 0 0 19 43 1 0 0 0 0 19 47 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 23 2 0 0 0 0 21 25 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 34 82 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 36 90 1 0 0 0 0 37 91 1 0 0 0 0 37 92 1 0 0 0 0 37 93 1 0 0 0 0 38 40 1 0 0 0 0 38 94 1 0 0 0 0 38 95 1 0 0 0 0 39 41 1 0 0 0 0 39 96 1 0 0 0 0 39 97 1 0 0 0 0 40 44 1 0 0 0 0 40 98 1 0 0 0 0 40 99 1 0 0 0 0 41 45 1 0 0 0 0 41100 1 0 0 0 0 41101 1 0 0 0 0 42102 1 0 0 0 0 42103 1 0 0 0 0 42104 1 0 0 0 0 43105 1 0 0 0 0 43106 1 0 0 0 0 43107 1 0 0 0 0 44 48 1 0 0 0 0 44108 1 0 0 0 0 44109 1 0 0 0 0 45 49 1 0 0 0 0 45110 1 0 0 0 0 45111 1 0 0 0 0 48 50 1 0 0 0 0 48112 1 0 0 0 0 48113 1 0 0 0 0 49 51 1 0 0 0 0 49114 1 0 0 0 0 49115 1 0 0 0 0 50116 1 0 0 0 0 50117 1 0 0 0 0 50118 1 0 0 0 0 51119 1 0 0 0 0 51120 1 0 0 0 0 51121 1 0 0 0 0 M CHG 3 1 2 4 -1 5 -1 M END > 70629307 > 1 > 405 > 6 > 0 > 16 > AAADcfB8OABgAAgAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgQAAAAADgCA2AAyCYAAAAiIAiDSCAACAAAgCBAAiBkAAIgIIDKgERCAIAAkgAAoiAeIyOCPgAACgAAAAAAAAAUAAAAAAAAAAAAAAA== > calcium;2-(3,5-ditert-butylphenyl)sulfanyl-2-methyl-heptanoate > calcium;2-[(3,5-ditert-butylphenyl)thio]-2-methylheptanoate > calcium;2-(3,5-ditert-butylphenyl)sulfanyl-2-methylheptanoate > calcium;2-(3,5-ditert-butylphenyl)sulfanyl-2-methylheptanoate > calcium;2-(3,5-ditert-butylphenyl)sulfanyl-2-methyl-heptanoate > calcium;2-[(3,5-ditert-butylphenyl)thio]-2-methyl-enanthate > InChI=1S/2C22H36O2S.Ca/c2*1-9-10-11-12-22(8,19(23)24)25-18-14-16(20(2,3)4)13-17(15-18)21(5,6)7;/h2*13-15H,9-12H2,1-8H3,(H,23,24);/q;;+2/p-2 > IONJLAAHCJPNRS-UHFFFAOYSA-L > 766.4341439 > C44H70CaO4S2 > 767.2 > CCCCCC(C)(C(=O)[O-])SC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C.CCCCCC(C)(C(=O)[O-])SC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C.[Ca+2] > CCCCCC(C)(C(=O)[O-])SC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C.CCCCCC(C)(C(=O)[O-])SC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C.[Ca+2] > 131 > 766.4341439 > 0 > 51 > 0 > 2 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 12 16 8 12 22 8 13 17 8 13 23 8 14 16 8 14 24 8 15 17 8 15 25 8 18 42 3 19 43 3 20 22 8 20 24 8 21 23 8 21 25 8 $$$$