[4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 4-hexoxybenzoate

Systemtic Name: [4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 4-hexoxybenzoate Openeye Name: [3-(2-isopropylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [3-(2-isopropylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C32H31F3O6 MolecularWeight: 568.58015

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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)OC4=CC=CC=C4C(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC=C4C(C)C

InChI

InChI=1S/C32H31F3O6/c1-4-5-6-9-18-38-22-14-12-21(13-15-22)31(37)39-23-16-17-25-27(19-23)41-30(32(33,34)35)29(28(25)36)40-26-11-8-7-10-24(26)20(2)3/h7-8,10-17,19-20H,4-6,9,18H2,1-3H3