9842771 1 2 3 4 5 64 64 16 8 8 1 3 2 3 3 -2 4 -2 5 -2 1 5 255 1 2 3 4 5 2.866 4.5981 2.866 3.732 2 0.25 0.25 -0.75 0.75 0.75 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 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 0 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 00000371000030004000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 gadolinium(3+);oxygen(2-);sulfide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 gadolinium(3+);oxygen(2-);sulfide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 gadolinium(3+);oxygen(2-);sulfide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 gadolinium(3+);oxygen(2-);sulfide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 gadolinium(3+);oxygen(2-);sulfide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 gadolinium(3+);oxygen(2-);sulfide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/2Gd.2O.S/q2*+3;3*-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MCVAAHQLXUXWLC-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.81307 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 Gd2O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 378.6 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [O-2].[O-2].[S-2].[Gd+3].[Gd+3] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [O-2].[O-2].[S-2].[Gd+3].[Gd+3] 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 2021.05.07 379.81012 5 0 0 0 0 0 0 0 5 -1