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

Systemtic Name: [3-(2-chloranyl-6-fluoranyl-phenyl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl] 4-methylbenzoate Openeye Name: [3-(2-chloro-6-fluoro-phenyl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-(2-chloro-6-fluorophenyl)-6-ethyl-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-chloro-6-fluorophenyl)-6-ethyl-2-methyl-4-oxochromen-7-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(2-chloro-6-fluoro-phenyl)-6-ethyl-4-keto-2-methyl-chromen-7-yl] ester Formula: C26H20ClFO4 MolecularWeight: 450.886003

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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)OC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H20ClFO4/c1-4-16-12-18-22(13-21(16)32-26(30)17-10-8-14(2)9-11-17)31-15(3)23(25(18)29)24-19(27)6-5-7-20(24)28/h5-13H,4H2,1-3H3