76827551 -OEChem-05082404432D 62 65 0 1 0 0 0 0 0999 V2000 3.9411 4.4025 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 2.4860 3.9030 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6089 3.6582 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8819 1.9030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2983 1.0982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6747 10.1199 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9308 9.1130 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6200 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 2.4030 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6200 2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 2.9030 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4860 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2983 2.7077 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6200 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3819 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3819 2.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3819 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3819 2.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8819 1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6907 9.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8247 8.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5568 8.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8247 7.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5568 7.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6907 7.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4668 9.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9308 7.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5727 10.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0247 8.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4748 10.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0247 7.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4177 3.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 2.9856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0094 2.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 3.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 0.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 0.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8608 3.1470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 2.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 0.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5831 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6569 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0719 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0719 3.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6919 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6919 3.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5019 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0937 7.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6907 6.4584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1342 10.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9379 9.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0001 8.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9379 6.4237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5703 11.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 8.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0129 10.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 7.2455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 5 13 2 0 0 0 0 6 23 1 0 0 0 0 6 31 2 0 0 0 0 6 55 1 0 0 0 0 7 24 1 0 0 0 0 7 32 2 0 0 0 0 7 56 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 19 21 2 0 0 0 0 19 49 1 0 0 0 0 20 22 2 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 29 33 2 0 0 0 0 29 57 1 0 0 0 0 30 34 2 0 0 0 0 30 58 1 0 0 0 0 31 33 1 0 0 0 0 31 59 1 0 0 0 0 32 34 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 M CHG 5 1 2 2 -1 3 -1 6 1 7 1 M END > 76827551 > 1 > 557 > 4 > 2 > 1 > AAADceB7sAAAAAgAAAAAAAAAAAAAAQAAAAA8eMECAAAAAECx/gAAHgAYAAAADxzhngY+wPLJkACgAzRnRACShCQxEiAY2aA4dJgIYOLAkZGUIAhnmADIyAeQwPAPQAAAQAACACCAAAKAABQAQAAAAAAAAA== > calcium;6,6-dimethyl-2-phenyl-3a,4,5,7-tetrahydro-3H-indazole-3,4-diolate;1,10-phenanthroline-1,10-diium > calcium;6,6-dimethyl-2-phenyl-3a,4,5,7-tetrahydro-3H-indazole-3,4-diolate;1,10-phenanthroline-1,10-diium > calcium;6,6-dimethyl-2-phenyl-3a,4,5,7-tetrahydro-3H-indazole-3,4-diolate;1,10-phenanthroline-1,10-diium > calcium;6,6-dimethyl-2-phenyl-3a,4,5,7-tetrahydro-3H-indazole-3,4-diolate;1,10-phenanthroline-1,10-diium > calcium;6,6-dimethyl-2-phenyl-3a,4,5,7-tetrahydro-3H-indazole-3,4-diolate;1,10-phenanthroline-1,10-diium > calcium;6,6-dimethyl-2-phenyl-3a,4,5,7-tetrahydro-3H-indazole-3,4-diolate;1,10-phenanthroline-1,10-diium > InChI=1S/C15H18N2O2.C12H8N2.Ca/c1-15(2)8-11-13(12(18)9-15)14(19)17(16-11)10-6-4-3-5-7-10;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3-7,12-14H,8-9H2,1-2H3;1-8H;/q-2;;+2/p+2 > YNZSYUDOHRTXRS-UHFFFAOYSA-P > 480.1838170 > C27H28CaN4O2+2 > 480.6 > CC1(CC(C2C(N(N=C2C1)C3=CC=CC=C3)[O-])[O-])C.C1=CC2=C(C3=C(C=CC=[NH+]3)C=C2)[NH+]=C1.[Ca+2] > CC1(CC(C2C(N(N=C2C1)C3=CC=CC=C3)[O-])[O-])C.C1=CC2=C(C3=C(C=CC=[NH+]3)C=C2)[NH+]=C1.[Ca+2] > 90 > 480.1838170 > 2 > 34 > 0 > 3 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 17 18 8 17 19 8 18 20 8 19 21 8 11 2 3 20 22 8 21 22 8 23 24 8 23 25 8 24 26 8 25 27 8 25 29 8 26 28 8 26 30 8 27 28 8 29 33 8 14 3 3 30 34 8 31 33 8 32 34 8 6 23 8 6 31 8 7 24 8 7 32 8 9 13 3 $$$$