[2,3-bis(fluoranyl)-4-pentyl-phenyl] 2-fluoranyl-4-heptyl-benzoate

Systemtic Name: [2,3-bis(fluoranyl)-4-pentyl-phenyl] 2-fluoranyl-4-heptyl-benzoate Openeye Name: (2,3-difluoro-4-pentyl-phenyl) 2-fluoro-4-heptyl-benzoate CAS Name: 2-fluoro-4-heptylbenzoic acid (2,3-difluoro-4-pentylphenyl) ester IUPAC Name: (2,3-difluoro-4-pentylphenyl) 2-fluoro-4-heptylbenzoate Traditional Name: 2-fluoro-4-heptyl-benzoic acid (4-amyl-2,3-difluoro-phenyl) ester Formula: C25H31F3O2 MolecularWeight: 420.50765

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=C(C(=C(C=C2)CCCCC)F)F)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=C(C(=C(C=C2)CCCCC)F)F)F

InChI

InChI=1S/C25H31F3O2/c1-3-5-7-8-10-11-18-13-15-20(21(26)17-18)25(29)30-22-16-14-19(12-9-6-4-2)23(27)24(22)28/h13-17H,3-12H2,1-2H3