[4-butyl-3,5-bis(fluoranyl)phenyl] 4-methylbenzoate

Systemtic Name: [4-butyl-3,5-bis(fluoranyl)phenyl] 4-methylbenzoate Openeye Name: (4-butyl-3,5-difluoro-phenyl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (4-butyl-3,5-difluorophenyl) ester IUPAC Name: (4-butyl-3,5-difluorophenyl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (4-butyl-3,5-difluoro-phenyl) ester Formula: C18H18F2O2 MolecularWeight: 304.331126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1F)OC(=O)C2=CC=C(C=C2)C)F

Isomeric SMILES

CCCCC1=C(C=C(C=C1F)OC(=O)C2=CC=C(C=C2)C)F

InChI

InChI=1S/C18H18F2O2/c1-3-4-5-15-16(19)10-14(11-17(15)20)22-18(21)13-8-6-12(2)7-9-13/h6-11H,3-5H2,1-2H3