[4-(5-octyl-1,3-dioxan-2-yl)phenyl] 4-(6-cyclopentylhexoxy)-3-fluoranyl-benzoate

Systemtic Name: [4-(5-octyl-1,3-dioxan-2-yl)phenyl] 4-(6-cyclopentylhexoxy)-3-fluoranyl-benzoate Openeye Name: [4-(5-octyl-1,3-dioxan-2-yl)phenyl] 4-(6-cyclopentylhexoxy)-3-fluoro-benzoate CAS Name: 4-(6-cyclopentylhexoxy)-3-fluorobenzoic acid [4-(5-octyl-1,3-dioxan-2-yl)phenyl] ester IUPAC Name: [4-(5-octyl-1,3-dioxan-2-yl)phenyl] 4-(6-cyclopentylhexoxy)-3-fluorobenzoate Traditional Name: 4-(6-cyclopentylhexoxy)-3-fluoro-benzoic acid [4-(5-octyl-1,3-dioxan-2-yl)phenyl] ester Formula: C36H51FO5 MolecularWeight: 582.785543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1COC(OC1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCC4CCCC4)F

Isomeric SMILES

CCCCCCCCC1COC(OC1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCC4CCCC4)F

InChI

InChI=1S/C36H51FO5/c1-2-3-4-5-6-10-17-29-26-40-36(41-27-29)30-18-21-32(22-19-30)42-35(38)31-20-23-34(33(37)25-31)39-24-13-8-7-9-14-28-15-11-12-16-28/h18-23,25,28-29,36H,2-17,24,26-27H2,1H3