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

Systemtic Name: methyl 4-[[3-(2-chloranyl-6-fluoranyl-phenyl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl]oxymethyl]benzoate Openeye Name: methyl 4-[[3-(2-chloro-6-fluoro-phenyl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl]oxymethyl]benzoate CAS Name: 4-[[3-(2-chloro-6-fluorophenyl)-6-ethyl-2-methyl-4-oxo-1-benzopyran-7-yl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-chloro-6-fluorophenyl)-6-ethyl-2-methyl-4-oxochromen-7-yl]oxymethyl]benzoate Traditional Name: 4-[[3-(2-chloro-6-fluoro-phenyl)-6-ethyl-4-keto-2-methyl-chromen-7-yl]oxymethyl]benzoic acid methyl ester Formula: C27H22ClFO5 MolecularWeight: 480.911983

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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)OC

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)OC

InChI

InChI=1S/C27H22ClFO5/c1-4-17-12-19-23(13-22(17)33-14-16-8-10-18(11-9-16)27(31)32-3)34-15(2)24(26(19)30)25-20(28)6-5-7-21(25)29/h5-13H,4,14H2,1-3H3