[4-oxidanylidene-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 3-methoxybenzoate

Systemtic Name: [4-oxidanylidene-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 3-methoxybenzoate Openeye Name: [4-oxo-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [4-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [4-keto-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C28H21F3O8 MolecularWeight: 542.45675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)OC)C(F)(F)F

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)OC)C(F)(F)F

InChI

InChI=1S/C28H21F3O8/c1-3-13-36-26(33)16-7-9-18(10-8-16)37-24-23(32)21-12-11-20(15-22(21)39-25(24)28(29,30)31)38-27(34)17-5-4-6-19(14-17)35-2/h4-12,14-15H,3,13H2,1-2H3