(2-fluoranyl-4-pentyl-phenyl) 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: (2-fluoranyl-4-pentyl-phenyl) 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: (2-fluoro-4-pentyl-phenyl) 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-heptyl-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid (2-fluoro-4-pentylphenyl) ester IUPAC Name: (2-fluoro-4-pentylphenyl) 1-heptyl-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid (4-amyl-2-fluoro-phenyl) ester Formula: C31H39FO2 MolecularWeight: 462.638563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC3=C(C=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC3=C(C=C(C=C3)CCCCC)F

InChI

InChI=1S/C31H39FO2/c1-3-5-7-8-13-21-31(22-19-27(20-23-31)26-15-11-9-12-16-26)30(33)34-29-18-17-25(24-28(29)32)14-10-6-4-2/h9,11-12,15-20,22-24,27H,3-8,10,13-14,21H2,1-2H3