(4-nonylphenyl) 2,3-bis(fluoranyl)-4-heptyl-benzoate

Systemtic Name: (4-nonylphenyl) 2,3-bis(fluoranyl)-4-heptyl-benzoate Openeye Name: (4-nonylphenyl) 2,3-difluoro-4-heptyl-benzoate CAS Name: 2,3-difluoro-4-heptylbenzoic acid (4-nonylphenyl) ester IUPAC Name: (4-nonylphenyl) 2,3-difluoro-4-heptylbenzoate Traditional Name: 2,3-difluoro-4-heptyl-benzoic acid (4-nonylphenyl) ester Formula: C29H40F2O2 MolecularWeight: 458.623506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)CCCCCCC)F)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)CCCCCCC)F)F

InChI

InChI=1S/C29H40F2O2/c1-3-5-7-9-10-12-13-15-23-17-20-25(21-18-23)33-29(32)26-22-19-24(27(30)28(26)31)16-14-11-8-6-4-2/h17-22H,3-16H2,1-2H3