9889168 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 252 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 22 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F07800020400000000000000000000000000000000000000000000000000000000000018080000000008008800000200000000200000000000000000000000000000000000000000020000000000000000000000010080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tributyl(tetradecyl)phosphonium;chloride IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tributyl(tetradecyl)phosphonium;chloride IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tributyl(tetradecyl)phosphanium;chloride IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tributyl(tetradecyl)phosphanium;chloride IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tributyl(tetradecyl)phosphanium;chloride IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tributyl(myristyl)phosphonium;chloride InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C26H56P.ClH/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 1.0.6 InChI iupac.org 2021.10.14 AKUNSPZHHSNFFX-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 434.3808165 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C26H56ClP Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 435.1 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Cl-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Cl-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 434.3808165 28 0 0 0 0 0 0 0 2 -1