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

Systemtic Name: [3-naphthalen-1-yl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethylbenzoate Openeye Name: [3-(1-naphthyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic 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-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [4-keto-3-(1-naphthyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C29H19F3O4 MolecularWeight: 488.45397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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)C

Isomeric SMILES

CC1=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)C

InChI

InChI=1S/C29H19F3O4/c1-16-10-11-19(14-17(16)2)28(34)35-20-12-13-23-24(15-20)36-27(29(30,31)32)25(26(23)33)22-9-5-7-18-6-3-4-8-21(18)22/h3-15H,1-2H3