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

Systemtic Name: [3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-oxidanylidene-4-propyl-chromen-7-yl] 4-chloranylbenzoate Openeye Name: [3-[(2-chloro-6-fluoro-phenyl)methyl]-2-oxo-4-propyl-chromen-7-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-4-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-4-propylchromen-7-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-(2-chloro-6-fluoro-benzyl)-2-keto-4-propyl-chromen-7-yl] ester Formula: C26H19Cl2FO4 MolecularWeight: 485.331063

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=C(C=C3)Cl)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=C(C=C3)Cl)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C26H19Cl2FO4/c1-2-4-18-19-12-11-17(32-25(30)15-7-9-16(27)10-8-15)13-24(19)33-26(31)20(18)14-21-22(28)5-3-6-23(21)29/h3,5-13H,2,4,14H2,1H3