24682 1 2 3 4 16 8 8 8 1 1 1 2 3 4 2 2 2 1 5 255 1 2 3 4 2.866 3.732 2 2.866 0.25 0.75 0.75 -0.75 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 61.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371000030004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 sulfur trioxide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 sulfur trioxide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 sulfur trioxide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 sulfur trioxide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 sulfur trioxide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/O3S/c1-4(2)3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 AKEJUJNQAAGONA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 79.956815 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 O3S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 80.0632 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 O=S(=O)=O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 O=S(=O)=O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 52.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 79.956815 4 0 0 0 0 0 0 0 1 1