66561817 -OEChem-05122402312D 75 76 0 0 0 0 0 0 0999 V2000 6.6728 5.4750 0.0000 Ti 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 12.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 0.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 6.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8067 4.9750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4048 6.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 3.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 10.9749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 1.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 11.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4048 11.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 12.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4048 12.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 9.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4048 9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4048 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9141 8.0304 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 12.9141 8.0304 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 11.6050 8.9814 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 13.2231 8.9814 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 12.4141 9.5692 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 13.2231 4.3210 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 12.4141 4.9088 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 12.9141 3.3699 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 11.6050 4.3210 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 11.9141 3.3699 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 6.0622 11.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4607 10.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6169 10.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0154 11.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 2.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 2.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4607 13.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 12.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0154 12.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6169 13.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 2.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1358 9.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 1.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 9.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6717 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1358 8.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 2.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 8.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5496 7.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2785 7.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0154 9.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8127 9.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4141 10.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8127 4.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4141 5.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2785 2.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0154 4.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5496 2.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 30 1 0 0 0 0 5 31 1 0 0 0 0 6 30 2 0 0 0 0 7 31 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 19 1 0 0 0 0 10 14 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 15 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 16 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 17 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 58 1 0 0 0 0 21 25 1 0 0 0 0 21 59 1 0 0 0 0 22 26 2 0 0 0 0 22 60 1 0 0 0 0 23 27 2 0 0 0 0 23 61 1 0 0 0 0 24 28 2 0 0 0 0 24 62 1 0 0 0 0 25 29 2 0 0 0 0 25 63 1 0 0 0 0 26 28 1 0 0 0 0 26 64 1 0 0 0 0 27 29 1 0 0 0 0 27 65 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 66 1 0 0 0 0 33 35 1 0 0 0 0 33 67 1 0 0 0 0 34 36 1 0 0 0 0 34 68 1 0 0 0 0 35 36 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 71 1 0 0 0 0 38 40 1 0 0 0 0 38 72 1 0 0 0 0 39 41 1 0 0 0 0 39 73 1 0 0 0 0 40 41 1 0 0 0 0 40 74 1 0 0 0 0 41 75 1 0 0 0 0 M CHG 3 1 4 4 -1 5 -1 M RAD 8 32 2 33 2 34 2 35 2 36 2 37 2 38 2 39 2 M RAD 2 40 2 41 2 M END > 66561817 > 1 > 224 > 8 > 0 > 2 > AAADcfB/OAAAAAIAAAAAAAAAAAAAAYMAAAA8eIEAAAAAAAABQAAAHgAAAAAADAjhmAYwyIMABACIAiTSSACCAAAlAgAIiAEIbMgKJjLAlZGHMQhkwAHYyYeY2SOeCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA== > InChI=1S/2C11H13NO3.2C5H5.Ti/c2*13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12;2*1-2-4-5-3-1;/h2*1-4H,5-8H2,(H,13,14);2*1-5H;/q;;;;+4/p-2 > UVXBYZWZTIFNQY-UHFFFAOYSA-L > 590.1896275 > C32H34N2O6Ti+2 > 590.5 > C1COCCN1C2=CC=C(C=C2)C(=O)[O-].C1COCCN1C2=CC=C(C=C2)C(=O)[O-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+4] > C1COCCN1C2=CC=C(C=C2)C(=O)[O-].C1COCCN1C2=CC=C(C=C2)C(=O)[O-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+4] > 105 > 590.1896275 > 2 > 41 > 0 > 0 > 0 > 0 > 0 > 5 > -1 > 1 5 255 > 18 20 8 18 22 8 19 21 8 19 23 8 20 24 8 21 25 8 22 26 8 23 27 8 24 28 8 25 29 8 26 28 8 27 29 8 $$$$