[3-naphthalen-1-yl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-bromanyl-3,4,5-trimethoxy-benzoate

Systemtic Name: [3-naphthalen-1-yl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [3-(1-naphthyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic 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] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [4-keto-3-(1-naphthyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C30H20BrF3O7 MolecularWeight: 629.37481

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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)Br)OC)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)Br)OC)OC

InChI

InChI=1S/C30H20BrF3O7/c1-37-22-14-20(24(31)27(39-3)26(22)38-2)29(36)40-16-11-12-19-21(13-16)41-28(30(32,33)34)23(25(19)35)18-10-6-8-15-7-4-5-9-17(15)18/h4-14H,1-3H3