16682953 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 82 8 8 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 2 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 20 21 22 23 23 23 2 4 5 6 19 19 7 10 8 11 9 12 13 24 14 25 15 26 16 27 17 28 18 29 20 30 21 31 22 32 20 33 21 34 22 35 23 36 37 38 39 40 41 1 1 1 1 1 2 2 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 2 1 2 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 4.7057 3.7057 2.5924 4.7057 4.7057 5.7057 3.8397 5.5718 6.2057 5.5718 3.8397 6.2057 3.8397 5.5718 7.2057 5.5718 3.8397 7.2057 2.766 4.7057 4.7057 7.7057 2 3.3028 6.1087 5.8957 6.1087 3.3028 5.8957 3.3028 6.1087 7.5157 6.1087 3.3028 7.5157 4.7057 4.7057 8.3257 1.6015 1.525 2.3985 0 0 1.3268 -1 1 0 -1.5 1.5 0.866 -1.5 1.5 -0.866 -2.5 2.5 0.866 -2.5 2.5 -0.866 0.342 -3 3 0 -0.3008 -1.19 1.19 1.403 -1.19 1.19 -1.403 -2.81 2.81 1.403 -2.81 2.81 -1.403 -3.62 3.62 -0 0.1742 -0.6993 -0.7757 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 8 9 10 11 12 13 14 15 16 17 18 7 10 8 11 9 12 13 14 15 16 17 18 20 21 22 20 21 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 332 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07830000000000000000000400000000000000000003060C0000000000000015000001A00000000000800809000320880000000880020D208000200002000000888000000880820228011108020002080000888070000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 triphenylplumbyl acetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acetic acid triphenylplumbyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 triphenylplumbyl acetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 triphenylplumbyl acetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 triphenylplumbyl ethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acetic acid triphenylplumbyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/3C6H5.C2H4O2.Pb/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UXLLXTLQVAJJIB-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 498.10733 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H18O2Pb Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 497 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)O[Pb](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)O[Pb](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 26.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 498.10733 23 0 0 0 0 0 0 0 1 -1