[2,3-bis(fluoranyl)-4-heptoxy-phenyl] 4-octylbenzoate

Systemtic Name: [2,3-bis(fluoranyl)-4-heptoxy-phenyl] 4-octylbenzoate Openeye Name: (2,3-difluoro-4-heptoxy-phenyl) 4-octylbenzoate CAS Name: 4-octylbenzoic acid (2,3-difluoro-4-heptoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-heptoxyphenyl) 4-octylbenzoate Traditional Name: 4-octylbenzoic acid (2,3-difluoro-4-heptoxy-phenyl) ester Formula: C28H38F2O3 MolecularWeight: 460.596326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCCCCC)F)F

InChI

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