3H-Indolium, 2-[7-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1...
C63H101N2.I
100068-60-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  66 68 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 20.0200 18.3762 0.0 0
M  V30 2 C 18.4800 18.3762 0.0 0
M  V30 3 C 17.7100 17.0424 0.0 0
M  V30 4 C 16.1700 17.0424 0.0 0
M  V30 5 C 15.4000 15.7088 0.0 0
M  V30 6 C 13.8600 15.7088 0.0 0
M  V30 7 C 13.0900 14.3751 0.0 0
M  V30 8 C 11.5500 14.3751 0.0 0
M  V30 9 C 10.7800 13.0415 0.0 0
M  V30 10 C 9.2400 13.0415 0.0 0
M  V30 11 C 8.4700 11.7077 0.0 0
M  V30 12 C 6.9300 11.7077 0.0 0
M  V30 13 C 6.1600 10.3741 0.0 0
M  V30 14 C 4.6200 10.3741 0.0 0
M  V30 15 C 3.8500 9.0404 0.0 0
M  V30 16 C 2.3100 9.0404 0.0 0
M  V30 17 C 1.5400 7.7068 0.0 0
M  V30 18 C 0.0000 7.7068 0.0 0
M  V30 19 C 23.3519 18.7264 0.0 0
M  V30 20 C 24.8584 19.0466 0.0 0
M  V30 21 C 25.8888 17.9020 0.0 0
M  V30 22 C 27.3952 18.2224 0.0 0
M  V30 23 C 28.4256 17.0778 0.0 0
M  V30 24 C 29.9319 17.3980 0.0 0
M  V30 25 C 30.9625 16.2536 0.0 0
M  V30 26 C 23.2680 22.7840 0.0 0
M  V30 27 C 24.1064 20.9012 0.0 0
M  V30 28 C 32.9317 13.5431 0.0 0
M  V30 29 C 33.7017 12.2094 0.0 0
M  V30 30 C 35.2417 12.2094 0.0 0
M  V30 31 C 36.0117 10.8756 0.0 0
M  V30 32 C 37.5517 10.8756 0.0 0
M  V30 33 C 38.3217 9.5420 0.0 0
M  V30 34 C 39.8617 9.5420 0.0 0
M  V30 35 C 40.6317 8.2084 0.0 0
M  V30 36 C 42.1717 8.2084 0.0 0
M  V30 37 C 42.9417 6.8747 0.0 0
M  V30 38 C 44.4817 6.8747 0.0 0
M  V30 39 C 45.2517 5.5409 0.0 0
M  V30 40 C 46.7917 5.5409 0.0 0
M  V30 41 C 47.5617 4.2073 0.0 0
M  V30 42 C 49.1017 4.2073 0.0 0
M  V30 43 C 49.8717 2.8736 0.0 0
M  V30 44 C 51.4117 2.8736 0.0 0
M  V30 45 C 52.1817 1.5400 0.0 0
M  V30 46 C 27.4904 14.1521 0.0 0
M  V30 47 C 28.7018 15.8193 0.0 0
M  V30 48 C 20.1635 21.1166 0.0 0
M  V30 49 N 20.7900 19.7098 0.0 0
M  V30 50 C 21.3081 22.1472 0.0 0
M  V30 51 C 18.6990 21.5926 0.0 0
M  V30 52 C 22.3215 19.8708 0.0 0
M  V30 53 C 22.6417 21.3772 0.0 0
M  V30 54 C 20.9879 23.6535 0.0 0
M  V30 55 C 18.3788 23.0989 0.0 0
M  V30 56 C 19.5232 24.1293 0.0 0
M  V30 57 C 30.4865 14.7889 0.0 0
M  V30 58 N 31.3917 13.5431 0.0 0 CHG=1 VAL=4
M  V30 59 C 29.0219 14.3131 0.0 0
M  V30 60 C 30.4865 12.2972 0.0 0
M  V30 61 C 29.0219 12.7731 0.0 0
M  V30 62 C 30.8068 10.7908 0.0 0
M  V30 63 C 27.8774 11.7427 0.0 0
M  V30 64 C 29.6622 9.7604 0.0 0
M  V30 65 C 28.1977 10.2362 0.0 0
M  V30 66 I 26.0908 0.0000 0.0 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 49
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 6 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 10 11
M  V30 12 1 11 12
M  V30 13 1 12 13
M  V30 14 1 13 14
M  V30 15 1 14 15
M  V30 16 1 15 16
M  V30 17 1 16 17
M  V30 18 1 17 18
M  V30 19 1 19 20
M  V30 20 2 19 52 CFG=2
M  V30 21 2 20 21 CFG=2
M  V30 22 1 21 22
M  V30 23 2 22 23 CFG=2
M  V30 24 1 23 24
M  V30 25 2 24 25 CFG=2
M  V30 26 1 25 57
M  V30 27 1 26 53
M  V30 28 1 27 53
M  V30 29 1 28 29
M  V30 30 1 28 58
M  V30 31 1 29 30
M  V30 32 1 30 31
M  V30 33 1 31 32
M  V30 34 1 32 33
M  V30 35 1 33 34
M  V30 36 1 34 35
M  V30 37 1 35 36
M  V30 38 1 36 37
M  V30 39 1 37 38
M  V30 40 1 38 39
M  V30 41 1 39 40
M  V30 42 1 40 41
M  V30 43 1 41 42
M  V30 44 1 42 43
M  V30 45 1 43 44
M  V30 46 1 44 45
M  V30 47 1 46 59
M  V30 48 1 47 59
M  V30 49 1 48 49
M  V30 50 1 48 50
M  V30 51 2 48 51
M  V30 52 1 49 52
M  V30 53 1 50 53
M  V30 54 2 50 54
M  V30 55 1 51 55
M  V30 56 1 52 53
M  V30 57 1 54 56
M  V30 58 2 55 56
M  V30 59 2 57 58
M  V30 60 1 57 59
M  V30 61 1 58 60
M  V30 62 1 59 61
M  V30 63 1 60 61
M  V30 64 2 60 62
M  V30 65 2 61 63
M  V30 66 1 62 64
M  V30 67 1 63 65
M  V30 68 2 64 65
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
100068-60-8

> <cas.index.name>
3H-Indolium, 2-[7-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-3,3-dimethyl-1-octadecyl-, iodide (1:1)

> <molecular.formula>
C63H101N2.I

> <molecular.weight>
1013.40

$$$$
