70488907 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 50 17 17 15 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -1 4 1 1 1 1 1 1 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 21 21 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 46 46 46 47 47 47 48 48 48 2 3 5 6 7 23 24 25 26 8 9 49 10 11 50 12 13 51 14 52 53 15 54 55 16 56 57 17 58 59 18 60 61 19 62 63 20 64 65 20 66 67 21 68 69 21 70 71 22 72 73 22 74 75 76 77 78 79 80 81 27 82 83 28 84 85 29 86 87 30 88 89 31 90 91 32 92 93 33 94 95 34 96 97 35 98 99 37 100 101 38 102 103 39 104 105 36 106 107 40 108 109 110 111 112 113 114 115 116 117 118 41 119 120 42 121 122 43 123 124 44 125 126 45 127 128 46 129 130 47 131 132 48 133 134 135 136 137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 8.094 9.045 7.1429 4.001 8.094 8.923 7.5062 7.228 8.96 9.8218 8.8533 7.9129 6.5117 7.228 8.96 10.6509 9.6823 7.3252 5.9239 8.094 10.5811 6.3306 4.8671 3.135 3.501 4.501 5.7331 2.269 4.001 4.001 6.5991 1.403 3.501 4.501 7.4651 8.3312 0.5369 4.001 4.001 9.1972 10.0632 10.9292 11.7953 12.6613 13.5273 14.3933 15.2594 16.1254 8.6309 8.3658 7.254 7.0159 6.6174 9.5706 9.1721 9.4574 10.2525 8.6011 8.2517 8.4269 8.3436 5.9544 6.6826 6.6174 7.0159 9.1721 9.5706 10.903 11.2524 10.0467 9.2516 7.8824 7.1543 5.4099 5.4932 7.6955 8.4925 11.1977 10.752 6.3739 5.729 5.2656 4.4685 2.7365 3.5335 3.0261 3.0261 4.976 4.976 5.3346 6.1316 2.6675 1.8705 4.476 4.476 3.5261 3.5261 6.9976 6.2006 1.0044 1.8015 3.0261 3.0261 4.976 4.976 7.0666 7.8637 8.7297 7.9326 0.8469 0 0.2269 4.538 4.311 3.4641 3.4641 3.691 4.538 8.7987 9.5957 10.4617 9.6647 10.5307 11.3278 12.1938 11.3967 12.2628 13.0598 13.9258 13.1288 13.9948 14.7919 15.6579 14.8608 15.8154 16.6623 16.4354 3.475 3.1659 3.1659 12.6035 2.475 4.0341 4.284 1.975 1.975 3.5958 5.0317 5.1975 4.1794 0.9749 0.9749 4.155 5.5909 6.0065 4.9884 0.4749 5.1525 5.902 13.1035 12.1035 13.4696 11.7375 12.6035 12.6035 14.3356 10.8715 13.1035 12.1035 15.2016 10.0055 12.6035 13.1035 12.6035 16.0676 9.1394 12.6035 13.1035 12.6035 13.1035 12.6035 13.1035 12.6035 13.1035 12.6035 2.7849 4.3059 3.7176 2.5576 1.8673 1.8673 2.5576 3.0942 3.1498 5.5981 4.8817 4.8508 5.6435 3.9076 3.5834 1.0826 0.3923 0.3923 1.0826 3.5886 4.305 6.0925 6.0369 6.2783 6.6025 5.3351 4.5425 0 0 5.0877 5.7485 6.5205 6.052 13.5785 13.5785 11.6286 11.6286 13.8681 13.071 11.339 12.1361 12.1286 12.1286 13.0785 13.0785 13.9371 14.7341 11.27 10.473 13.5785 13.5785 11.6286 11.6286 15.6002 14.8031 9.6069 10.404 12.1286 12.1286 13.5785 13.5785 13.1405 12.9135 12.0666 15.7576 16.6046 16.3776 9.4494 8.6025 8.8294 12.1286 12.1286 13.5785 13.5785 12.1286 12.1286 13.5785 13.5785 12.1286 12.1286 13.5785 13.5785 12.1286 12.1286 13.5785 13.5785 12.0666 12.2935 13.1405 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 536 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 25 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F07C00020600000000008000000000000000000000003060C00000000000000000000018080000000008008800000200000000200000000000000000000000000000000000000000020000000000000000000000010080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 dichloro(tricyclohexyl)stannanuide;tributyl(tetradecyl)phosphonium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 dichloro(tricyclohexyl)stannanuide;tributyl(tetradecyl)phosphonium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 dichloro(tricyclohexyl)stannanuide;tributyl(tetradecyl)phosphanium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 dichloro(tricyclohexyl)stannanuide;tributyl(tetradecyl)phosphanium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(chloranyl)-tricyclohexyl-stannanuide;tributyl(tetradecyl)phosphanium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 dichloro(tricyclohexyl)stannanuide;tributyl(myristyl)phosphonium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C26H56P.3C6H11.2ClH.Sn/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;3*1-2-4-6-5-3-1;;;/h5-26H2,1-4H3;3*1H,2-6H2;2*1H;/q+1;;;;;;+1/p-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KAXHJJWCPYOART-UHFFFAOYSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 838.510098 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C44H89Cl2PSn Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 838.8 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.C1CCC(CC1)[Sn-](C2CCCCC2)(C3CCCCC3)(Cl)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.C1CCC(CC1)[Sn-](C2CCCCC2)(C3CCCCC3)(Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 838.510098 48 0 0 0 0 0 0 0 2 -1