4-[[3-(2-chloranyl-6-fluoranyl-phenyl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[3-(2-chloranyl-6-fluoranyl-phenyl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl]oxymethyl]benzoic acid Openeye Name: 4-[[3-(2-chloro-6-fluoro-phenyl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl]oxymethyl]benzoic acid CAS Name: 4-[[3-(2-chloro-6-fluorophenyl)-6-ethyl-2-methyl-4-oxo-1-benzopyran-7-yl]oxymethyl]benzoic acid IUPAC Name: 4-[[3-(2-chloro-6-fluorophenyl)-6-ethyl-2-methyl-4-oxochromen-7-yl]oxymethyl]benzoic acid Traditional Name: 4-[[3-(2-chloro-6-fluoro-phenyl)-6-ethyl-4-keto-2-methyl-chromen-7-yl]oxymethyl]benzoic acid Formula: C26H20ClFO5 MolecularWeight: 466.885403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=C(C=CC=C3Cl)F)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=C(C=CC=C3Cl)F)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H20ClFO5/c1-3-16-11-18-22(12-21(16)32-13-15-7-9-17(10-8-15)26(30)31)33-14(2)23(25(18)29)24-19(27)5-4-6-20(24)28/h4-12H,3,13H2,1-2H3,(H,30,31)