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

Systemtic Name: [2,3-bis(fluoranyl)-4-octoxy-phenyl] 4-octylbenzoate Openeye Name: (2,3-difluoro-4-octoxy-phenyl) 4-octylbenzoate CAS Name: 4-octylbenzoic acid (2,3-difluoro-4-octoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-octoxyphenyl) 4-octylbenzoate Traditional Name: 4-octylbenzoic acid (2,3-difluoro-4-octoxy-phenyl) ester Formula: C29H40F2O3 MolecularWeight: 474.622906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40F2O3/c1-3-5-7-9-11-13-15-23-16-18-24(19-17-23)29(32)34-26-21-20-25(27(30)28(26)31)33-22-14-12-10-8-6-4-2/h16-21H,3-15,22H2,1-2H3