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

Systemtic Name: [4-(5-nonyl-1,3-dioxan-2-yl)phenyl] 4-(6-cyclopentylhexoxy)-3-fluoranyl-benzoate Openeye Name: [4-(5-nonyl-1,3-dioxan-2-yl)phenyl] 4-(6-cyclopentylhexoxy)-3-fluoro-benzoate CAS Name: 4-(6-cyclopentylhexoxy)-3-fluorobenzoic acid [4-(5-nonyl-1,3-dioxan-2-yl)phenyl] ester IUPAC Name: [4-(5-nonyl-1,3-dioxan-2-yl)phenyl] 4-(6-cyclopentylhexoxy)-3-fluorobenzoate Traditional Name: 4-(6-cyclopentylhexoxy)-3-fluoro-benzoic acid [4-(5-nonyl-1,3-dioxan-2-yl)phenyl] ester Formula: C37H53FO5 MolecularWeight: 596.812123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1COC(OC1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCC4CCCC4)F

Isomeric SMILES

CCCCCCCCCC1COC(OC1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCC4CCCC4)F

InChI

InChI=1S/C37H53FO5/c1-2-3-4-5-6-7-11-18-30-27-41-37(42-28-30)31-19-22-33(23-20-31)43-36(39)32-21-24-35(34(38)26-32)40-25-14-9-8-10-15-29-16-12-13-17-29/h19-24,26,29-30,37H,2-18,25,27-28H2,1H3