[2,3-bis(fluoranyl)-1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-heptylcyclohexane-1-carboxylate

Systemtic Name: [2,3-bis(fluoranyl)-1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-heptylcyclohexane-1-carboxylate Openeye Name: (2,3-difluoro-1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid (2,3-difluoro-1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (2,3-difluoro-1-octoxy-4-phenylcyclohexa-2,5-dien-1-yl) 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid (2,3-difluoro-1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C34H50F2O3 MolecularWeight: 544.755806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H50F2O3/c1-3-5-7-9-11-16-26-38-34(25-24-30(31(35)32(34)36)28-18-14-12-15-19-28)39-33(37)29-22-20-27(21-23-29)17-13-10-8-6-4-2/h12,14-15,18-19,24-25,27,29-30H,3-11,13,16-17,20-23,26H2,1-2H3