160554 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 25 8 8 8 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 3 2 -1 3 -1 4 -1 2 3 4 5 6 7 8 8 8 8 9 9 9 9 10 10 10 10 11 12 13 11 12 13 11 14 15 16 12 17 18 19 13 20 21 22 1 1 1 2 2 2 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 3.732 4.5981 2.866 3.732 5.4641 3.732 2 6.3301 2 2.866 5.4641 2.866 2.866 6.6401 6.8671 6.0201 2.31 1.4631 1.69 2.246 2.866 3.486 0.25 0.75 0.75 -0.75 -0.75 2.25 -0.75 0.75 2.25 -2.25 0.25 1.75 -1.25 0.2131 1.06 1.2869 2.7869 2.56 1.7131 -2.25 -2.87 -2.25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 25.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0603800000000400000000000000000000000000000000000000000000000000000001A000000000000008080000208000000000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 manganic;triacetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 manganese(3+);triacetate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 manganese(3+);triacetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 manganese(3+);triacetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 manganese(3+);triethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 manganic;triacetate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/3C2H4O2.Mn/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AHSBSUVHXDIAEY-UHFFFAOYSA-K Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 231.977956 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H9MnO6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 232.07 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Mn+3] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Mn+3] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 120 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 231.977956 13 0 0 0 0 0 0 0 4 -1