[4-(trifluoromethyl)phenyl] 4-butylbenzoate

Systemtic Name: [4-(trifluoromethyl)phenyl] 4-butylbenzoate Openeye Name: [4-(trifluoromethyl)phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-(trifluoromethyl)phenyl] ester IUPAC Name: [4-(trifluoromethyl)phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-(trifluoromethyl)phenyl] ester Formula: C18H17F3O2 MolecularWeight: 322.32159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H17F3O2/c1-2-3-4-13-5-7-14(8-6-13)17(22)23-16-11-9-15(10-12-16)18(19,20)21/h5-12H,2-4H2,1H3