67950771 -OEChem-05052423092D 100105 0 1 0 0 0 0 0999 V2000 4.6783 -1.7646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3568 -2.7337 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6783 -0.1551 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7506 -1.9290 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2619 -0.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7284 -1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9598 -2.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 0.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0938 -3.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3855 1.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8534 -0.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -2.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0358 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1955 2.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5216 -3.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8258 -3.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0135 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6124 -3.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0938 -4.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3154 -4.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0927 3.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3209 0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8258 -4.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9598 -4.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9028 3.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2987 0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3648 -4.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0596 -4.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8533 3.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9045 4.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0430 -0.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7039 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4425 4.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8561 4.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9082 0.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6986 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7591 -0.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0846 0.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7511 -2.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3425 -1.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -0.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9609 0.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 1.3864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7809 0.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1147 1.9837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7892 1.2561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4701 -0.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9172 -0.3175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2367 -0.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5594 -3.3569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -2.7637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0130 -0.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4216 -0.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4664 1.4546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7918 2.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4342 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9019 -3.0333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3628 -3.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0363 -1.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6277 -0.6434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1984 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1509 -3.8155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0264 -3.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5568 -4.7108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9047 -3.8397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8219 3.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4964 2.8372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2982 1.0130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7068 0.4787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3628 -4.7108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9598 -5.5208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9987 2.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9077 1.0842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1722 -3.7537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7755 -4.5356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 -4.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6455 -5.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5211 -5.1142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4737 -4.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0439 2.6928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4035 4.9587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9793 -0.6815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3929 2.0537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 4.0897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0487 5.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4750 0.1855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1126 1.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 6 2 0 0 0 0 2 14 1 0 0 0 0 2 25 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 16 1 0 0 0 0 5 10 2 3 0 0 0 6 10 1 0 0 0 0 7 15 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 11 1 0 0 0 0 8 19 2 0 0 0 0 9 18 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 50 1 0 0 0 0 11 22 2 0 0 0 0 12 14 1 0 0 0 0 12 23 2 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 26 2 0 0 0 0 15 20 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 21 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 24 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 19 29 1 0 0 0 0 19 63 1 0 0 0 0 20 28 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 27 1 0 0 0 0 21 66 1 0 0 0 0 21 67 1 0 0 0 0 22 30 1 0 0 0 0 22 68 1 0 0 0 0 23 32 1 0 0 0 0 23 69 1 0 0 0 0 24 31 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 25 74 1 0 0 0 0 26 33 1 0 0 0 0 26 75 1 0 0 0 0 27 36 1 0 0 0 0 27 37 1 0 0 0 0 27 76 1 0 0 0 0 28 34 1 0 0 0 0 28 77 1 0 0 0 0 28 78 1 0 0 0 0 29 30 2 0 0 0 0 29 79 1 0 0 0 0 30 80 1 0 0 0 0 31 35 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 33 2 0 0 0 0 32 83 1 0 0 0 0 33 84 1 0 0 0 0 34 38 1 0 0 0 0 34 39 1 0 0 0 0 34 85 1 0 0 0 0 35 40 1 0 0 0 0 35 41 1 0 0 0 0 35 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 37 92 1 0 0 0 0 38 42 2 0 0 0 0 38 93 1 0 0 0 0 39 43 2 0 0 0 0 39 94 1 0 0 0 0 40 44 2 0 0 0 0 40 95 1 0 0 0 0 41 45 2 0 0 0 0 41 96 1 0 0 0 0 42 43 1 0 0 0 0 42 97 1 0 0 0 0 43 98 1 0 0 0 0 44 45 1 0 0 0 0 44 99 1 0 0 0 0 45100 1 0 0 0 0 M CHG 1 2 1 M END > 67950771 > 1 > 1170 > 1 > 0 > 14 > AAADcfB/AAAAAAAAAAAAAAAAAAAAAWIECAAwYAAAAAAAAFgBQAAAHAAAAAAADwjBGAQywIMAAACgAyRiRACCAAAhAgAIiAA4ZJgIICLAkZGEIAhggADIyAcQgMAPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 3-(4-cyclopenta-2,4-dien-1-ylbutyl)-2-[[3-(4-cyclopenta-2,4-dien-1-ylbutyl)-1,3-dimethyl-indol-1-ium-2-yl]methylene]-1-isopentyl-3-methyl-indoline > 3-[4-(1-cyclopenta-2,4-dienyl)butyl]-2-[[3-[4-(1-cyclopenta-2,4-dienyl)butyl]-1,3-dimethyl-2-indol-1-iumyl]methylidene]-3-methyl-1-(3-methylbutyl)indole > 3-(4-cyclopenta-2,4-dien-1-ylbutyl)-2-[[3-(4-cyclopenta-2,4-dien-1-ylbutyl)-1,3-dimethylindol-1-ium-2-yl]methylidene]-3-methyl-1-(3-methylbutyl)indole > 3-(4-cyclopenta-2,4-dien-1-ylbutyl)-2-[[3-(4-cyclopenta-2,4-dien-1-ylbutyl)-1,3-dimethylindol-1-ium-2-yl]methylidene]-3-methyl-1-(3-methylbutyl)indole > 3-(4-cyclopenta-2,4-dien-1-ylbutyl)-2-[[3-(4-cyclopenta-2,4-dien-1-ylbutyl)-1,3-dimethyl-indol-1-ium-2-yl]methylidene]-3-methyl-1-(3-methylbutyl)indole > 3-(4-cyclopenta-2,4-dien-1-ylbutyl)-2-[[3-(4-cyclopenta-2,4-dien-1-ylbutyl)-1,3-dimethyl-indol-1-ium-2-yl]methylene]-1-isoamyl-3-methyl-indoline > InChI=1S/C43H55N2/c1-33(2)28-31-45-39-27-13-11-25-37(39)43(4,30-17-15-23-35-20-8-9-21-35)41(45)32-40-42(3,29-16-14-22-34-18-6-7-19-34)36-24-10-12-26-38(36)44(40)5/h6-13,18-21,24-27,32-35H,14-17,22-23,28-31H2,1-5H3/q+1 > YRKLMAXAAHAGDW-UHFFFAOYSA-N > 12.5 > 599.436524763 > C43H55N2+ > 599.9 > CC(C)CCN1C2=CC=CC=C2C(C1=CC3=[N+](C4=CC=CC=C4C3(C)CCCCC5C=CC=C5)C)(C)CCCCC6C=CC=C6 > CC(C)CCN1C2=CC=CC=C2C(C1=CC3=[N+](C4=CC=CC=C4C3(C)CCCCC5C=CC=C5)C)(C)CCCCC6C=CC=C6 > 6.2 > 599.436524763 > 1 > 45 > 0 > 2 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 11 22 8 12 14 8 12 23 8 14 26 8 19 29 8 22 30 8 23 32 8 26 33 8 29 30 8 3 13 3 32 33 8 4 16 3 5 10 1 8 11 8 8 19 8 $$$$