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

Systemtic Name: (4-heptylphenyl) 3-fluoranyl-4-(5-heptyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-heptylphenyl) 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-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 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-heptylphenyl) ester Formula: C31H43FO4 MolecularWeight: 498.669123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCC)F

Isomeric SMILES

CCCCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCC)F

InChI

InChI=1S/C31H43FO4/c1-3-5-7-9-11-13-24-15-18-27(19-16-24)36-30(33)26-17-20-28(29(32)21-26)31-34-22-25(23-35-31)14-12-10-8-6-4-2/h15-21,25,31H,3-14,22-23H2,1-2H3