16760302 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 79 16 11 8 8 8 8 6 6 6 6 1 1 1 1 1 1 2 -1 3 1 4 -1 1 2 3 4 5 5 6 7 8 8 8 9 9 9 2 8 4 10 11 15 10 11 9 10 12 11 13 14 6 1 7 1 1 1 2 2 1 1 1 1 1 1 8 2 9 10 12 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 4.269 5.135 7.7331 6.8671 2.5369 6.001 3.403 5.135 4.269 6.001 3.403 5.672 4.6675 3.8705 2 -1.5 -1 0.5 0 0.5 1.5 -1 0 0.5 0.5 -0 -0.31 0.9749 0.9749 0.19 3 8 2 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 142 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180603820400000000000000200000000000000000000000000000000000000000000001A0400080000080084C0008008000002000800009008000000000000000000010000000000100000000040000400000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;gold(1+);4-hydroxy-4-oxo-2-sulfido-butanoate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;gold(1+);4-hydroxy-4-oxo-2-sulfidobutanoate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;gold(1+);4-hydroxy-4-oxo-2-sulfidobutanoate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;gold(1+);4-hydroxy-4-oxo-2-sulfidobutanoate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;gold(1+);4-oxidanyl-4-oxidanylidene-2-sulfanidyl-butanoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;gold(1+);4-hydroxy-4-keto-2-sulfido-butyrate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C4H6O4S.Au.Na/c5-3(6)1-2(9)4(7)8;;/h2,9H,1H2,(H,5,6)(H,7,8);;/q;2*+1/p-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LTEMOXGFFHXNNS-UHFFFAOYSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.939369 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H4AuNaO4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.10 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(C(=O)[O-])[S-])C(=O)O.[Na+].[Au+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(C(=O)[O-])[S-])C(=O)O.[Na+].[Au+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 78.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.939369 11 1 0 1 0 0 0 0 3 -1