(4-pentylphenyl) 2,3-bis(fluoranyl)-4-heptyl-benzoate

Systemtic Name: (4-pentylphenyl) 2,3-bis(fluoranyl)-4-heptyl-benzoate Openeye Name: (4-pentylphenyl) 2,3-difluoro-4-heptyl-benzoate CAS Name: 2,3-difluoro-4-heptylbenzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2,3-difluoro-4-heptylbenzoate Traditional Name: 2,3-difluoro-4-heptyl-benzoic acid (4-amylphenyl) ester Formula: C25H32F2O2 MolecularWeight: 402.517186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32F2O2/c1-3-5-7-8-10-12-20-15-18-22(24(27)23(20)26)25(28)29-21-16-13-19(14-17-21)11-9-6-4-2/h13-18H,3-12H2,1-2H3