70254787 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 16 8 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 4 5 5 6 6 7 7 8 8 9 9 10 11 11 12 13 14 14 14 2 3 10 24 5 6 7 8 9 11 14 12 15 10 16 13 17 12 13 18 19 20 21 22 23 1 2 1 1 1 2 1 1 2 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 3.403 2.5369 3.403 6.001 6.001 6.895 5.135 5.135 6.895 4.269 7.801 4.269 7.801 6.8834 5.135 5.135 6.8878 8.3368 3.732 8.3368 6.2635 6.8762 7.5034 2 1.0173 0.5173 2.0173 -0.4827 0.5173 -1.0174 -0.9827 1.0173 1.052 0.5173 -0.5035 -0.4827 0.5381 -2.0173 -1.6027 1.6373 1.6719 -0.8156 -0.7927 0.8502 -2.0101 -2.6373 -2.0245 0.8273 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 5 6 7 8 9 10 11 5 6 7 8 9 11 12 10 13 12 13 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 229 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703000400000000000000000000000000000000000306000000000000000C15000001804000800000C008058003201C00000828002204200604200402000000888180000880820228011108020002080000888070080C00E90000280001000002000050000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5-methylnaphthalene-2-sulfinic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-methyl-2-naphthalenesulfinic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5-methylnaphthalene-2-sulfinic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5-methylnaphthalene-2-sulfinic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-methylnaphthalene-2-sulfinic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-methylnaphthalene-2-sulfinic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H10O2S/c1-8-3-2-4-9-7-10(14(12)13)5-6-11(8)9/h2-7H,1H3,(H,12,13) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SRNNNBNSZPGBNO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.04015073 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H10O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.26 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C2C=CC(=CC2=CC=C1)S(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C2C=CC(=CC2=CC=C1)S(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 56.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.04015073 14 0 0 0 0 0 0 0 1 -1