[2,3-bis(fluoranyl)-4-(heptoxymethyl)phenyl] 2-fluoranyl-4-heptyl-benzoate

Systemtic Name: [2,3-bis(fluoranyl)-4-(heptoxymethyl)phenyl] 2-fluoranyl-4-heptyl-benzoate Openeye Name: [2,3-difluoro-4-(heptoxymethyl)phenyl] 2-fluoro-4-heptyl-benzoate CAS Name: 2-fluoro-4-heptylbenzoic acid [2,3-difluoro-4-(heptoxymethyl)phenyl] ester IUPAC Name: [2,3-difluoro-4-(heptoxymethyl)phenyl] 2-fluoro-4-heptylbenzoate Traditional Name: 2-fluoro-4-heptyl-benzoic acid [2,3-difluoro-4-(heptoxymethyl)phenyl] ester Formula: C28H37F3O3 MolecularWeight: 478.58679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=C(C(=C(C=C2)COCCCCCCC)F)F)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=C(C(=C(C=C2)COCCCCCCC)F)F)F

InChI

InChI=1S/C28H37F3O3/c1-3-5-7-9-11-13-21-14-16-23(24(29)19-21)28(32)34-25-17-15-22(26(30)27(25)31)20-33-18-12-10-8-6-4-2/h14-17,19H,3-13,18,20H2,1-2H3