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

Systemtic Name: (4-undecylphenyl) 2,3-bis(fluoranyl)-4-heptyl-benzoate Openeye Name: (4-undecylphenyl) 2,3-difluoro-4-heptyl-benzoate CAS Name: 2,3-difluoro-4-heptylbenzoic acid (4-undecylphenyl) ester IUPAC Name: (4-undecylphenyl) 2,3-difluoro-4-heptylbenzoate Traditional Name: 2,3-difluoro-4-heptyl-benzoic acid (4-undecylphenyl) ester Formula: C31H44F2O2 MolecularWeight: 486.676666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)CCCCCCC)F)F

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)CCCCCCC)F)F

InChI

InChI=1S/C31H44F2O2/c1-3-5-7-9-10-11-12-14-15-17-25-19-22-27(23-20-25)35-31(34)28-24-21-26(29(32)30(28)33)18-16-13-8-6-4-2/h19-24H,3-18H2,1-2H3