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

Systemtic Name: (4-pentylphenyl) 2-fluoranyl-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-pentylphenyl) 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-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 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-amylphenyl) ester Formula: C27H41FO4 MolecularWeight: 448.610443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)C2CCC(C(C2)F)C(=O)OC3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCC1COC(OC1)C2CCC(C(C2)F)C(=O)OC3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C27H41FO4/c1-3-5-7-9-20-11-14-23(15-12-20)32-26(29)24-16-13-22(17-25(24)28)27-30-18-21(19-31-27)10-8-6-4-2/h11-12,14-15,21-22,24-25,27H,3-10,13,16-19H2,1-2H3