octan-2-yl 4-(4-butyl-2-fluoranyl-phenyl)benzoate

Systemtic Name: octan-2-yl 4-(4-butyl-2-fluoranyl-phenyl)benzoate Openeye Name: 1-methylheptyl 4-(4-butyl-2-fluoro-phenyl)benzoate CAS Name: 4-(4-butyl-2-fluorophenyl)benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(4-butyl-2-fluorophenyl)benzoate Traditional Name: 4-(4-butyl-2-fluoro-phenyl)benzoic acid 1-methylheptyl ester Formula: C25H33FO2 MolecularWeight: 384.526723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)CCCC)F

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)CCCC)F

InChI

InChI=1S/C25H33FO2/c1-4-6-8-9-10-19(3)28-25(27)22-15-13-21(14-16-22)23-17-12-20(11-7-5-2)18-24(23)26/h12-19H,4-11H2,1-3H3