16689712 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 50 8 8 8 8 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 2 3 4 5 6 6 6 6 7 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 18 18 18 19 19 19 20 20 20 21 21 21 2 3 16 17 16 17 8 12 16 22 9 13 17 23 10 24 25 11 26 27 14 28 29 15 30 31 18 32 33 19 34 35 20 36 37 21 38 39 40 41 42 43 44 45 46 47 48 49 50 51 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 1 1 1 1 1 1 1 1 1 1 1 6 8 12 16 22 3 1 7 9 13 17 23 3 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 8.0622 8.9282 7.1962 9.7942 6.3301 10.6603 5.4641 11.5263 4.5981 12.3923 3.732 10.6603 5.4641 13.2583 2.866 9.7942 6.3301 11.5263 4.5981 14.1244 2 11.1972 5.4641 11.9248 11.1278 4.9966 4.1996 11.9938 12.7908 3.3335 4.1306 10.0497 10.4482 5.6762 6.0747 13.6569 12.8598 3.2646 2.4675 11.2163 12.0632 11.8363 4.2881 4.0611 4.9081 13.8144 14.6613 14.4344 1.69 1.4631 2.31 0.5 0 0 1.5 1.5 -0 0 0.5 0.5 -0 0 -1 -1 0.5 0.5 0.5 0.5 -1.5 -1.5 -0 0 -0.31 0.62 0.9749 0.9749 0.9749 0.9749 -0.4749 -0.4749 -0.4749 -0.4749 -0.8923 -1.5826 -1.5826 -0.8923 0.9749 0.9749 0.9749 0.9749 -2.0369 -1.81 -0.9631 -0.9631 -1.81 -2.0369 -0.5369 -0.31 0.5369 0.5369 -0.31 -0.5369 3 3 6 7 12 13 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 266 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 14 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0783800000000000000800000000000000000000000000000000000000000000000001A00000000000D0080800002080000000008000090080000000000000000000100000000001200000000000004000000000188C8000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(2-ethylhexanoyloxy)tin IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(2-ethyl-1-oxohexoxy)tin IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(2-ethylhexanoyloxy)tin IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(2-ethylhexanoyloxy)tin IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(2-ethylhexanoyloxy)tin IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(2-ethylhexanoyloxy)tin InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/2C8H16O2.Sn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KSBAEPSJVUENNK-UHFFFAOYSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.116612 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H30O4Sn Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 405.1 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC(CC)C(=O)O[Sn]OC(=O)C(CC)CCCC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC(CC)C(=O)O[Sn]OC(=O)C(CC)CCCC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 52.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.116612 21 2 0 2 0 0 0 0 1 -1