166593 1 2 3 4 5 62 62 16 16 16 1 3 2 3 3 -2 4 -2 5 -2 1 5 255 1 2 3 4 5 2.866 4.5981 3.732 2 2.866 0.25 0.25 0.75 0.75 -0.75 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371000000006000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 samarium(3+);trisulfide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 samarium(3+);trisulfide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 samarium(3+);trisulfide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 samarium(3+);trisulfide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 samarium(3+);trisulfide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 samarium(3+);trisulfide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/3S.2Sm/q3*-2;2*+3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KKZKWPQFAZAUSB-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 401.75817 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 S3Sm2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 396.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [S-2].[S-2].[S-2].[Sm+3].[Sm+3] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [S-2].[S-2].[S-2].[Sm+3].[Sm+3] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 399.75569 5 0 0 0 0 0 0 0 5 -1