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

Systemtic Name: (4-nonylphenyl) 3-fluoranyl-4-(5-heptyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-nonylphenyl) 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-nonylphenyl) ester IUPAC Name: (4-nonylphenyl) 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-nonylphenyl) ester Formula: C33H47FO4 MolecularWeight: 526.722283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCCCCCC)F

InChI

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