3-[1,5-bis(4-fluoranyl-2-methyl-phenyl)-1,5-bis(oxidanylidene)pentan-3-yl]benzoic acid

Systemtic Name: 3-[1,5-bis(4-fluoranyl-2-methyl-phenyl)-1,5-bis(oxidanylidene)pentan-3-yl]benzoic acid Openeye Name: 3-[3-(4-fluoro-2-methyl-phenyl)-1-[2-(4-fluoro-2-methyl-phenyl)-2-oxo-ethyl]-3-oxo-propyl]benzoic acid CAS Name: 3-[1,5-bis(4-fluoro-2-methylphenyl)-1,5-dioxopentan-3-yl]benzoic acid IUPAC Name: 3-[1,5-bis(4-fluoro-2-methylphenyl)-1,5-dioxopentan-3-yl]benzoic acid Traditional Name: 3-[3-(4-fluoro-2-methyl-phenyl)-1-[2-(4-fluoro-2-methyl-phenyl)-2-keto-ethyl]-3-keto-propyl]benzoic acid Formula: C26H22F2O4 MolecularWeight: 436.447286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C(=O)CC(CC(=O)C2=C(C=C(C=C2)F)C)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)C(=O)CC(CC(=O)C2=C(C=C(C=C2)F)C)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C26H22F2O4/c1-15-10-20(27)6-8-22(15)24(29)13-19(17-4-3-5-18(12-17)26(31)32)14-25(30)23-9-7-21(28)11-16(23)2/h3-12,19H,13-14H2,1-2H3,(H,31,32)