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

Systemtic Name: [2,3-bis(fluoranyl)-4-octoxy-phenyl] 4-hexylbenzoate Openeye Name: (2,3-difluoro-4-octoxy-phenyl) 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid (2,3-difluoro-4-octoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-octoxyphenyl) 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid (2,3-difluoro-4-octoxy-phenyl) ester Formula: C27H36F2O3 MolecularWeight: 446.569746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCCC)F)F

InChI

InChI=1S/C27H36F2O3/c1-3-5-7-9-10-12-20-31-23-18-19-24(26(29)25(23)28)32-27(30)22-16-14-21(15-17-22)13-11-8-6-4-2/h14-19H,3-13,20H2,1-2H3