[6-butyl-3-fluoranyl-3-(4-pentylcyclohexyl)-6-phenyl-cyclohexa-1,4-dien-1-yl] hexanoate

Systemtic Name: [6-butyl-3-fluoranyl-3-(4-pentylcyclohexyl)-6-phenyl-cyclohexa-1,4-dien-1-yl] hexanoate Openeye Name: [6-butyl-3-fluoro-3-(4-pentylcyclohexyl)-6-phenyl-cyclohexa-1,4-dien-1-yl] hexanoate CAS Name: hexanoic acid [6-butyl-3-fluoro-3-(4-pentylcyclohexyl)-6-phenyl-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [6-butyl-3-fluoro-3-(4-pentylcyclohexyl)-6-phenylcyclohexa-1,4-dien-1-yl] hexanoate Traditional Name: hexanoic acid [3-(4-amylcyclohexyl)-6-butyl-3-fluoro-6-phenyl-cyclohexa-1,4-dien-1-yl] ester Formula: C33H49FO2 MolecularWeight: 496.739363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2(C=CC(C(=C2)OC(=O)CCCCC)(CCCC)C3=CC=CC=C3)F

Isomeric SMILES

CCCCCC1CCC(CC1)C2(C=CC(C(=C2)OC(=O)CCCCC)(CCCC)C3=CC=CC=C3)F

InChI

InChI=1S/C33H49FO2/c1-4-7-11-15-27-19-21-29(22-20-27)33(34)25-24-32(23-9-6-3,28-16-13-10-14-17-28)30(26-33)36-31(35)18-12-8-5-2/h10,13-14,16-17,24-27,29H,4-9,11-12,15,18-23H2,1-3H3