(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 2-fluoranyl-2-methyl-butanoate

Systemtic Name: (1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 2-fluoranyl-2-methyl-butanoate Openeye Name: (1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 2-fluoro-2-methyl-butanoate CAS Name: 2-fluoro-2-methylbutanoic acid (1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-octoxy-4-phenylcyclohexa-2,5-dien-1-yl) 2-fluoro-2-methylbutanoate Traditional Name: 2-fluoro-2-methyl-butyric acid (1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C25H35FO3 MolecularWeight: 402.542003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C(C)(CC)F

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C(C)(CC)F

InChI

InChI=1S/C25H35FO3/c1-4-6-7-8-9-13-20-28-25(29-23(27)24(3,26)5-2)18-16-22(17-19-25)21-14-11-10-12-15-21/h10-12,14-19,22H,4-9,13,20H2,1-3H3