9851553 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 50 50 8 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 2 1 3 -2 1 1 1 2 2 2 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 4 5 6 7 8 9 10 28 29 11 30 31 12 32 33 13 34 35 14 36 37 15 38 39 16 40 41 17 42 43 18 44 45 19 46 47 20 48 49 21 50 51 22 52 53 23 54 55 24 56 57 25 58 59 26 60 61 27 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6.501 6.501 0 7.3671 5.635 6.501 7.3671 5.635 6.501 8.2331 4.769 5.635 8.2331 4.769 5.635 9.0991 3.903 5.635 9.0991 3.903 5.635 9.9651 3.0369 4.769 9.9651 3.0369 4.769 7.7656 6.9685 6.0335 5.2365 6.7131 7.1116 7.7656 6.9685 6.0335 5.2365 6.7131 7.1116 7.8346 8.6316 4.3705 5.1675 5.423 5.0244 7.8346 8.6316 4.3705 5.1675 5.423 5.0244 9.4976 8.7006 4.3015 3.5044 5.8471 6.2456 9.4976 8.7006 4.3015 3.5044 5.8471 6.2456 9.6551 10.5021 10.2751 2.7269 2.5 3.3469 4.459 4.232 5.079 9.6551 10.5021 10.2751 2.7269 2.5 3.3469 4.459 4.232 5.079 3.5369 10.0488 5.2619 4.0369 4.0369 2.5369 10.5488 10.5488 9.0488 3.5369 3.5369 2.0369 10.0488 10.0488 8.5488 4.0369 4.0369 1.0369 10.5488 10.5488 7.5488 3.5369 3.5369 0.5369 10.0488 10.0488 7.0488 4.5119 4.5119 4.5119 4.5119 1.9543 2.6446 11.0238 11.0238 11.0238 11.0238 8.4662 9.1565 3.062 3.062 3.062 3.062 2.6196 1.9293 9.5739 9.5739 9.5739 9.5739 9.1314 8.4412 4.5119 4.5119 4.5119 4.5119 0.4543 1.1446 11.0238 11.0238 11.0238 11.0238 6.9662 7.6565 3 3.2269 4.0739 4.0739 3.2269 3 1.0739 0.2269 0 9.5119 9.7388 10.5858 10.5858 9.7388 9.5119 7.5858 6.7388 6.5119 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 72.1 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 18 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F07820000000000000008000000000000000000000000000000000000000000000000018000000000008008000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 oxygen(2-);tributylstannanylium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 oxygen(2-);tributylstannanylium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 oxygen(2-);tributylstannanylium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 oxygen(2-);tributylstannanylium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 oxygen(2-);tributylstannanylium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 oxygen(2-);tributylstannanylium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/6C4H9.O.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3;;;/q;;;;;;-2;2*+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VFWHRLHTRNDINW-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 596.22128 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C24H54OSn2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 596.1 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.[O-2] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.[O-2] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 598.22187 27 0 0 0 0 0 0 0 3 -1