[4-(4-methyl-5-octyl-1,3-dioxan-2-yl)phenyl] 2-fluoranylhexanoate

Systemtic Name: [4-(4-methyl-5-octyl-1,3-dioxan-2-yl)phenyl] 2-fluoranylhexanoate Openeye Name: [4-(4-methyl-5-octyl-1,3-dioxan-2-yl)phenyl] 2-fluorohexanoate CAS Name: 2-fluorohexanoic acid [4-(4-methyl-5-octyl-1,3-dioxan-2-yl)phenyl] ester IUPAC Name: [4-(4-methyl-5-octyl-1,3-dioxan-2-yl)phenyl] 2-fluorohexanoate Traditional Name: 2-fluorohexanoic acid [4-(4-methyl-5-octyl-1,3-dioxan-2-yl)phenyl] ester Formula: C25H39FO4 MolecularWeight: 422.573163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1COC(OC1C)C2=CC=C(C=C2)OC(=O)C(CCCC)F

Isomeric SMILES

CCCCCCCCC1COC(OC1C)C2=CC=C(C=C2)OC(=O)C(CCCC)F

InChI

InChI=1S/C25H39FO4/c1-4-6-8-9-10-11-12-21-18-28-25(29-19(21)3)20-14-16-22(17-15-20)30-24(27)23(26)13-7-5-2/h14-17,19,21,23,25H,4-13,18H2,1-3H3