11963662 1 2 3 4 5 6 7 8 9 10 42 29 16 8 8 1 1 1 1 1 3 -1 1 1 1 2 3 4 4 5 5 3 4 5 3 6 7 8 9 10 6 6 6 6 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 3.403 5.135 4.269 2.5369 3.403 4.269 2 2.5369 2.866 3.9399 0.095 0.095 0.595 0.595 -0.905 1.215 0.285 1.215 -1.215 -1.215 -1 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 9.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371800030004000000400400000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;molybdenum;sulfanide;dihydrate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;molybdenum;sulfanide;dihydrate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;molybdenum;sulfanide;dihydrate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;molybdenum;sulfanide;dihydrate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;molybdenum;sulfanide;dihydrate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;molybdenum;bisulfide;dihydrate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/Cu.Mo.2H2O.H2S/h;;3*1H2/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VBTZGNIYUCEWRI-UHFFFAOYSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 229.836026 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 CuH5MoO2S- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.08.13 228.60 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 O.O.[SH-].[Cu].[Mo] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 O.O.[SH-].[Cu].[Mo] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 229.836026 5 0 0 0 0 0 0 0 5 -1