[3-(2-chloranyl-6-fluoranyl-phenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: [3-(2-chloranyl-6-fluoranyl-phenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: [3-(2-chloro-6-fluoro-phenyl)-2-methyl-4-oxo-chromen-7-yl] 1-oxoisochromane-3-carboxylate CAS Name: 1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid [3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl] 1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: 1-ketoisochroman-3-carboxylic acid [3-(2-chloro-6-fluoro-phenyl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C26H16ClFO6 MolecularWeight: 478.853043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3CC4=CC=CC=C4C(=O)O3)C5=C(C=CC=C5Cl)F

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3CC4=CC=CC=C4C(=O)O3)C5=C(C=CC=C5Cl)F

InChI

InChI=1S/C26H16ClFO6/c1-13-22(23-18(27)7-4-8-19(23)28)24(29)17-10-9-15(12-20(17)32-13)33-26(31)21-11-14-5-2-3-6-16(14)25(30)34-21/h2-10,12,21H,11H2,1H3