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

Systemtic Name: [2,3-bis(fluoranyl)-4-octoxy-phenyl] 4-heptylbenzoate Openeye Name: (2,3-difluoro-4-octoxy-phenyl) 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid (2,3-difluoro-4-octoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-octoxyphenyl) 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid (2,3-difluoro-4-octoxy-phenyl) ester Formula: C28H38F2O3 MolecularWeight: 460.596326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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