23690734 1 2 3 4 5 6 7 8 16 11 9 9 9 8 8 6 2 1 6 -1 1 1 1 2 3 4 5 6 7 8 6 8 8 8 1 2 1 7 1 1 1 1 5 255 1 2 3 4 5 6 7 8 3.732 5.4641 2 2.366 3.366 4.5981 3.732 2.866 0.183 0.183 -0.817 0.549 -1.183 -0.317 1.183 -0.317 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 89.8 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 00000371000031A04000000000000000000000000000000000000000000000000000000000000001040000000000000000100000000000020000000000600000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;trifluoromethanesulfinate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;trifluoromethanesulfinate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;trifluoromethanesulfinate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;trifluoromethanesulfinate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;tris(fluoranyl)methanesulfinate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;trifluoromethanesulfinate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CHF3O2S.Na/c2-1(3,4)7(5)6;/h(H,5,6);/q;+1/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KAVUKAXLXGRUCD-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 155.94687918 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CF3NaO2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 156.06 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(F)(F)(F)S(=O)[O-].[Na+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(F)(F)(F)S(=O)[O-].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 59.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 155.94687918 8 0 0 0 0 0 0 0 2 1