(4-heptylphenyl) 2-fluoranyl-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate

Systemtic Name: (4-heptylphenyl) 2-fluoranyl-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-heptylphenyl) 2-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexanecarboxylate CAS Name: 2-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)-1-cyclohexanecarboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 2-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(5-amyl-1,3-dioxan-2-yl)-2-fluoro-cyclohexanecarboxylic acid (4-heptylphenyl) ester Formula: C29H45FO4 MolecularWeight: 476.663603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2F)C3OCC(CO3)CCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2F)C3OCC(CO3)CCCCC

InChI

InChI=1S/C29H45FO4/c1-3-5-7-8-10-11-22-13-16-25(17-14-22)34-28(31)26-18-15-24(19-27(26)30)29-32-20-23(21-33-29)12-9-6-4-2/h13-14,16-17,23-24,26-27,29H,3-12,15,18-21H2,1-2H3