(4-octylphenyl) 3-fluoranyl-4-(5-heptyl-1,3-dioxan-2-yl)benzoate

Systemtic Name: (4-octylphenyl) 3-fluoranyl-4-(5-heptyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-octylphenyl) 3-fluoro-4-(5-heptyl-1,3-dioxan-2-yl)benzoate CAS Name: 3-fluoro-4-(5-heptyl-1,3-dioxan-2-yl)benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 3-fluoro-4-(5-heptyl-1,3-dioxan-2-yl)benzoate Traditional Name: 3-fluoro-4-(5-heptyl-1,3-dioxan-2-yl)benzoic acid (4-octylphenyl) ester Formula: C32H45FO4 MolecularWeight: 512.695703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCCCCCC)F

InChI

InChI=1S/C32H45FO4/c1-3-5-7-9-11-12-14-25-16-19-28(20-17-25)37-31(34)27-18-21-29(30(33)22-27)32-35-23-26(24-36-32)15-13-10-8-6-4-2/h16-22,26,32H,3-15,23-24H2,1-2H3