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

Systemtic Name: (4-heptylphenyl) 4-(5-ethyl-1,3-dioxan-2-yl)-3-fluoranyl-benzoate Openeye Name: (4-heptylphenyl) 4-(5-ethyl-1,3-dioxan-2-yl)-3-fluoro-benzoate CAS Name: 4-(5-ethyl-1,3-dioxan-2-yl)-3-fluorobenzoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-(5-ethyl-1,3-dioxan-2-yl)-3-fluorobenzoate Traditional Name: 4-(5-ethyl-1,3-dioxan-2-yl)-3-fluoro-benzoic acid (4-heptylphenyl) ester Formula: C26H33FO4 MolecularWeight: 428.536223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CC)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CC)F

InChI

InChI=1S/C26H33FO4/c1-3-5-6-7-8-9-20-10-13-22(14-11-20)31-25(28)21-12-15-23(24(27)16-21)26-29-17-19(4-2)18-30-26/h10-16,19,26H,3-9,17-18H2,1-2H3