23674 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 16 8 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 6 6 7 7 7 8 9 10 11 11 12 13 13 14 14 15 15 15 16 17 17 17 3 4 5 8 10 15 28 9 16 8 9 13 11 10 12 12 18 19 14 20 16 21 17 22 23 24 25 26 27 1 2 2 1 1 1 1 1 2 2 1 1 1 2 1 2 1 1 2 1 1 1 1 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 25 26 27 28 3 3 3 2 4 4.76 3.866 3 3.866 3 2.134 2.134 4.76 5.666 2.134 5.666 2.134 1.597 1.597 4.7528 6.2018 1.9219 1.5234 6.2018 1.514 2.134 2.754 2.4631 2.095 -1.905 3.095 2.095 2.095 -0.9397 0.595 1.095 -0.405 -0.905 0.595 -0.405 1.1297 0.6158 -2.405 -0.4258 -3.405 0.905 -0.715 1.7496 0.9279 -1.8224 -2.5127 -0.7379 -3.405 -4.025 -3.405 3.405 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 7 8 9 10 11 13 14 9 16 8 9 13 11 10 12 12 14 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 351 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07238004000000000000000000000000000000000003C4000000000000000B1F000001E04000800000C0CE1DE063EC7F2081482A00334674474C2886031622008D8383F6C980E26E2C4B19B87382CE4C011D8E80790C0B00E008001002006100001000200400C2000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 8-ethoxyquinoline-5-sulfonic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 8-ethoxy-5-quinolinesulfonic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 8-ethoxyquinoline-5-sulfonic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 8-ethoxyquinoline-5-sulfonic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 8-ethoxyquinoline-5-sulfonic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 8-ethoxyquinoline-5-sulfonic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H11NO4S/c1-2-16-9-5-6-10(17(13,14)15)8-4-3-7-12-11(8)9/h3-7H,2H2,1H3,(H,13,14,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YAMVZYRZAMBCED-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 253.04087901 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H11NO4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 253.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=N2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 84.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 253.04087901 17 0 0 0 0 0 0 0 1 -1