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

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

Systemtic Name:nonyl 3-fluoranyl-4-(5-heptyl-1,3-dioxan-2-yl)benzoate
Openeye Name:nonyl 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 nonyl ester
IUPAC Name:nonyl 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 nonyl ester
Formula: C27H43FO4
MolecularWeight: 450.626323
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=CC(=C(C=C1)C2OCC(CO2)CCCCCCC)F


Isomeric SMILES

CCCCCCCCCOC(=O)C1=CC(=C(C=C1)C2OCC(CO2)CCCCCCC)F


InChI

InChI=1S/C27H43FO4/c1-3-5-7-9-10-12-14-18-30-26(29)23-16-17-24(25(28)19-23)27-31-20-22(21-32-27)15-13-11-8-6-4-2/h16-17,19,22,27H,3-15,18,20-21H2,1-2H3


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