23458174 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 35 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 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 2 1 2 2 2 2 3 3 3 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 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 3 4 5 6 7 29 30 8 31 32 9 33 34 10 35 36 11 37 38 12 39 40 13 41 42 14 43 44 15 45 46 17 47 48 18 49 50 19 51 52 16 53 54 20 55 56 57 58 59 60 61 62 63 64 65 21 66 67 22 68 69 23 70 71 24 72 73 25 74 75 26 76 77 27 78 79 28 80 81 82 83 84 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 8.0812 4.001 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 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 0 6.501 7.001 6.001 7.3671 5.635 6.501 6.501 8.2331 4.769 7.001 6.001 9.0991 3.903 6.501 7.001 6.501 9.9651 3.0369 6.501 7.001 6.501 7.001 6.501 7.001 6.501 7.001 6.501 7.476 7.476 5.5261 5.5261 7.7656 6.9685 5.2365 6.0335 6.0261 6.0261 6.976 6.976 7.8346 8.6316 5.1675 4.3705 7.476 7.476 5.5261 5.5261 9.4976 8.7006 3.5044 4.3015 6.0261 6.0261 7.476 7.476 7.038 6.811 5.9641 9.6551 10.5021 10.2751 3.3469 2.5 2.7269 6.0261 6.0261 7.476 7.476 6.0261 6.0261 7.476 7.476 6.0261 6.0261 7.476 7.476 6.0261 6.0261 7.476 7.476 5.9641 6.191 7.038 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 252 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 22 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F07800020010000000000000000000000000000000000000000000000000000000000018080000000008008800000200000000200000000000000000000000000000000000000000020000000000000000000000010080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 tributyl(tetradecyl)phosphonium;bromide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 tributyl(tetradecyl)phosphonium;bromide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 tributyl(tetradecyl)phosphanium;bromide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 tributyl(tetradecyl)phosphanium;bromide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 tributyl(tetradecyl)phosphanium;bromide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 tributyl(myristyl)phosphonium;bromide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C26H56P.BrH/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;/h5-26H2,1-4H3;1H/q+1;/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IFRALPBDSPBTOE-UHFFFAOYSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 478.33030 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C26H56BrP Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 479.6 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-] 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 2021.05.07 478.33030 28 0 0 0 0 0 0 0 2 -1