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

Systemtic Name: (4-octoxyphenyl) 3-fluoranyl-4-(5-pentyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-octoxyphenyl) 3-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)benzoate CAS Name: 3-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 3-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)benzoate Traditional Name: 4-(5-amyl-1,3-dioxan-2-yl)-3-fluoro-benzoic acid (4-octoxyphenyl) ester Formula: C30H41FO5 MolecularWeight: 500.641943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41FO5/c1-3-5-7-8-9-11-19-33-25-14-16-26(17-15-25)36-29(32)24-13-18-27(28(31)20-24)30-34-21-23(22-35-30)12-10-6-4-2/h13-18,20,23,30H,3-12,19,21-22H2,1-2H3