[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-hexoxybenzoate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-hexoxybenzoate Openeye Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [3-(3,4-dimethoxyphenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C31H29F3O7 MolecularWeight: 570.55297

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C31H29F3O7/c1-4-5-6-7-16-39-21-11-8-19(9-12-21)30(36)40-22-13-14-23-25(18-22)41-29(31(32,33)34)27(28(23)35)20-10-15-24(37-2)26(17-20)38-3/h8-15,17-18H,4-7,16H2,1-3H3