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

Systemtic Name: (4-nonoxyphenyl) 3-fluoranyl-4-(5-heptyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-nonoxyphenyl) 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-nonoxyphenyl) ester IUPAC Name: (4-nonoxyphenyl) 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-nonoxyphenyl) ester Formula: C33H47FO5 MolecularWeight: 542.721683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCCCCCC)F

InChI

InChI=1S/C33H47FO5/c1-3-5-7-9-10-12-14-22-36-28-17-19-29(20-18-28)39-32(35)27-16-21-30(31(34)23-27)33-37-24-26(25-38-33)15-13-11-8-6-4-2/h16-21,23,26,33H,3-15,22,24-25H2,1-2H3