[3-naphthalen-1-yl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethoxybenzoate

Systemtic Name: [3-naphthalen-1-yl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethoxybenzoate Openeye Name: [3-(1-naphthyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [3-(1-naphthalenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-naphthalen-1-yl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-keto-3-(1-naphthyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C29H19F3O6 MolecularWeight: 520.45277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=CC5=CC=CC=C54)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=CC5=CC=CC=C54)OC

InChI

InChI=1S/C29H19F3O6/c1-35-22-13-10-17(14-24(22)36-2)28(34)37-18-11-12-21-23(15-18)38-27(29(30,31)32)25(26(21)33)20-9-5-7-16-6-3-4-8-19(16)20/h3-15H,1-2H3