159274 1 2 3 4 5 6 7 20 16 8 8 8 1 1 1 2 2 2 2 3 4 3 4 5 6 7 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 1.153 1.403 2.269 0.5369 1.403 2.8059 0 0 3.5 4 4 2.5 3.69 3.69 2 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 26.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 00000371000030004000080000000000000000000000000000000000000000000000000000000000000008000000000000000000000000800000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;sulfurous acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;sulfurous acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;sulfurous acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;sulfurous acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;sulfurous acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;sulfurous acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/Ca.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GBAOBIBJACZTNA-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 121.9350559 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 CaH2O3S+2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 122.16 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 OS(=O)O.[Ca+2] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 OS(=O)O.[Ca+2] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 76.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 121.9350559 5 0 0 0 0 0 0 0 2 -1