(2-fluoranyl-1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-heptylcyclohexane-1-carboxylate

Systemtic Name: (2-fluoranyl-1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-heptylcyclohexane-1-carboxylate Openeye Name: (2-fluoro-1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid (2-fluoro-1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (2-fluoro-1-octoxy-4-phenylcyclohexa-2,5-dien-1-yl) 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid (2-fluoro-1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C34H51FO3 MolecularWeight: 526.765343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1F)C2=CC=CC=C2)OC(=O)C3CCC(CC3)CCCCCCC

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1F)C2=CC=CC=C2)OC(=O)C3CCC(CC3)CCCCCCC

InChI

InChI=1S/C34H51FO3/c1-3-5-7-9-11-16-26-37-34(25-24-31(27-32(34)35)29-18-14-12-15-19-29)38-33(36)30-22-20-28(21-23-30)17-13-10-8-6-4-2/h12,14-15,18-19,24-25,27-28,30-31H,3-11,13,16-17,20-23,26H2,1-2H3