[3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(4-hexylphenyl)benzoate

Systemtic Name: [3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(4-hexylphenyl)benzoate Openeye Name: [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] 4-(4-hexylphenyl)benzoate CAS Name: 4-(4-hexylphenyl)benzoic acid (3-ethoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-ethoxy-1,1,1-trifluoropropan-2-yl) 4-(4-hexylphenyl)benzoate Traditional Name: 4-(4-hexylphenyl)benzoic acid [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C24H29F3O3 MolecularWeight: 422.48047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCC)C(F)(F)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCC)C(F)(F)F

InChI

InChI=1S/C24H29F3O3/c1-3-5-6-7-8-18-9-11-19(12-10-18)20-13-15-21(16-14-20)23(28)30-22(17-29-4-2)24(25,26)27/h9-16,22H,3-8,17H2,1-2H3