(4-heptylphenyl) 2,3-bis(fluoranyl)-4-octoxy-benzoate

Systemtic Name: (4-heptylphenyl) 2,3-bis(fluoranyl)-4-octoxy-benzoate Openeye Name: (4-heptylphenyl) 2,3-difluoro-4-octoxy-benzoate CAS Name: 2,3-difluoro-4-octoxybenzoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 2,3-difluoro-4-octoxybenzoate Traditional Name: 2,3-difluoro-4-octoxy-benzoic acid (4-heptylphenyl) ester Formula: C28H38F2O3 MolecularWeight: 460.596326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCCCCC)F)F

InChI

InChI=1S/C28H38F2O3/c1-3-5-7-9-11-13-21-32-25-20-19-24(26(29)27(25)30)28(31)33-23-17-15-22(16-18-23)14-12-10-8-6-4-2/h15-20H,3-14,21H2,1-2H3