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

Systemtic Name: (4-heptylphenyl) 3-fluoranyl-4-(5-nonyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-heptylphenyl) 3-fluoro-4-(5-nonyl-1,3-dioxan-2-yl)benzoate CAS Name: 3-fluoro-4-(5-nonyl-1,3-dioxan-2-yl)benzoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 3-fluoro-4-(5-nonyl-1,3-dioxan-2-yl)benzoate Traditional Name: 3-fluoro-4-(5-nonyl-1,3-dioxan-2-yl)benzoic acid (4-heptylphenyl) ester Formula: C33H47FO4 MolecularWeight: 526.722283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCC)F

InChI

InChI=1S/C33H47FO4/c1-3-5-7-9-10-12-14-16-27-24-36-33(37-25-27)30-22-19-28(23-31(30)34)32(35)38-29-20-17-26(18-21-29)15-13-11-8-6-4-2/h17-23,27,33H,3-16,24-25H2,1-2H3