(4-octoxyphenyl) 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoranyl-benzoate

Systemtic Name: (4-octoxyphenyl) 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoranyl-benzoate Openeye Name: (4-octoxyphenyl) 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoro-benzoate CAS Name: 4-(5-butyl-1,3-dioxan-2-yl)-3-fluorobenzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 4-(5-butyl-1,3-dioxan-2-yl)-3-fluorobenzoate Traditional Name: 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoro-benzoic acid (4-octoxyphenyl) ester Formula: C29H39FO5 MolecularWeight: 486.615363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCCC)F

InChI

InChI=1S/C29H39FO5/c1-3-5-7-8-9-10-18-32-24-13-15-25(16-14-24)35-28(31)23-12-17-26(27(30)19-23)29-33-20-22(21-34-29)11-6-4-2/h12-17,19,22,29H,3-11,18,20-21H2,1-2H3