224886 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 51 8 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 5 5 6 6 7 7 8 8 9 9 10 10 2 3 4 6 16 17 11 18 7 8 9 12 10 13 11 14 11 15 1 1 2 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 3 3 4 2 3 3 2.134 3.866 2.134 3.866 3 1.597 4.403 1.597 4.403 3.5369 4.31 2.4631 1.5 2.5 1.5 1.5 -2.5 0.5 0 0 -1 -1 -1.5 0.31 0.31 -1.31 -1.31 2.81 2.0369 -2.81 8 8 8 8 8 8 6 6 7 8 9 10 7 8 9 10 11 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 167 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 3 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 0000037180603800000000000000400000000000000000000000300000000000000000010000001A0000080000080480900030068000020080002042000002000020200008880006088808262282111280700024C0110898078040000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 (4-hydroxyphenyl)stibonic acid IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 (4-hydroxyphenyl)stibonic acid IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 (4-hydroxyphenyl)stibonic acid IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 (4-hydroxyphenyl)stibonic acid IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 (4-hydroxyphenyl)stibonic acid InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C6H5O.2H2O.O.Sb/c7-6-4-2-1-3-5-6;;;;/h2-5,7H;2*1H2;;/q;;;;+2/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 IHAJDWXURNWUDL-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 263.938249 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C6H7O4Sb Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 264.87738 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C1=CC(=CC=C1O)[Sb](=O)(O)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C1=CC(=CC=C1O)[Sb](=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 77.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 263.938249 11 0 0 0 0 0 0 0 1 2