23706212 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 29 30 31 32 33 34 35 36 37 38 39 19 8 8 8 8 6 6 6 6 6 6 6 6 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 1 1 3 -1 1 2 2 3 4 5 6 6 6 6 7 7 8 8 8 9 9 10 11 11 13 14 14 15 15 16 17 17 18 18 19 19 20 20 21 21 21 22 23 23 24 3 12 16 10 12 13 7 8 9 25 10 12 13 26 27 14 15 11 16 17 21 18 28 19 29 20 23 30 22 31 22 32 24 33 34 35 36 37 24 38 39 7 1 1 1 2 2 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 6 7 8 9 25 3 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 29 30 31 32 33 34 35 36 37 38 39 3.8 4.666 4.666 6.3981 8.1301 6.3981 5.5321 6.3981 7.2641 4.666 3.8 5.5321 7.2641 8.1301 7.2641 3.8 2.9061 8.9962 8.1301 2.9061 7.2641 8.9962 2 2 6.935 6.186 5.7875 8.1301 6.7272 2.9132 9.5331 8.1301 2.9132 7.8841 7.2641 6.6441 9.5331 1.4643 1.4643 1.2673 -2.2327 0.7673 -2.2327 0.7673 -0.2327 -0.7327 0.7673 -0.7327 -0.2327 -0.7327 -1.7327 1.2673 -0.2327 -1.7327 -1.7327 -0.198 -0.7327 -2.2327 -2.2673 2.2673 -1.7327 -0.7119 -1.7535 0.0773 1.3499 0.6597 0.3873 -2.0427 0.422 -0.4227 -2.8527 -2.8873 2.2673 2.8873 2.2673 -2.0427 -0.3998 -2.0656 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 6 7 7 9 9 10 11 11 14 15 16 17 18 19 20 23 12 16 8 10 12 14 15 11 16 17 18 19 20 23 22 22 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 508 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0783800004000000000000000000000000000000000306080000000000000814000001A00000000000D04809800320E800004008802A0D208000208002020000888010608C80C273284311A823A20A5C01108A90788CEE0AE80000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-oxo-3-(3-oxo-1-phenyl-butyl)chromen-4-olate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-oxo-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-olate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-olate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-keto-3-(3-keto-1-phenyl-butyl)chromen-4-olate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H16O4.K/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WSHYKIAQCMIPTB-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 346.06074044 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H15KO4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 346.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[K+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[K+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 66.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 346.06074044 24 1 0 1 0 0 0 0 2 -1