16682740 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 50 8 8 8 8 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 2 3 4 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 15 16 16 16 17 17 17 2 3 6 7 14 15 14 15 8 18 19 9 20 21 10 22 23 11 24 25 12 26 27 13 28 29 30 31 32 33 34 35 16 17 36 37 38 39 40 41 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 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 4.5981 5.4641 3.732 6.3301 2.866 4.0981 5.0981 4.5981 4.5981 4.0981 5.0981 4.5981 4.5981 6.3301 2.866 7.1962 2 3.6231 3.6231 5.573 5.573 5.073 5.073 4.1231 4.1231 3.6231 3.6231 5.573 5.573 5.135 4.9081 4.0611 4.0611 4.2881 5.135 7.5062 7.7331 6.8862 1.69 1.4631 2.31 0 0.5 -0.5 -1 1 0.866 -0.866 1.732 -1.732 2.5981 -2.5981 3.4641 -3.4641 0 -0 0.5 -0.5 1.2646 0.4675 -1.2646 -0.4675 1.3335 2.1306 -1.3335 -2.1306 2.9966 2.1996 -2.9966 -2.1996 3.1541 4.001 3.7741 -3.1541 -4.001 -3.7741 -0.0369 0.81 1.0369 0.0369 -0.81 -1.0369 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 227 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 10 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0703800000000000000800000000000000000000000000000000000000000000000001A000000000008008080000208000000000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [acetoxy(dibutyl)stannyl] acetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acetic acid [acetyloxy(dibutyl)stannyl] ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [acetyloxy(dibutyl)stannyl] acetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [acetyloxy(dibutyl)stannyl] acetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [acetyloxy(dibutyl)stannyl] ethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acetic acid [acetoxy(dibutyl)stannyl] ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2C4H9.2C2H4O2.Sn/c2*1-3-4-2;2*1-2(3)4;/h2*1,3-4H2,2H3;2*1H3,(H,3,4);/q;;;;+2/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JJLKTTCRRLHVGL-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 352.069662 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H24O4Sn Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 351.03 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 52.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 352.069662 17 0 0 0 0 0 0 0 1 -1