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

Systemtic Name: [2,3-bis(fluoranyl)-1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl] octanoate Openeye Name: (2,3-difluoro-1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) octanoate CAS Name: octanoic 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) octanoate Traditional Name: caprylic acid (2,3-difluoro-1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C28H40F2O3 MolecularWeight: 462.612206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40F2O3/c1-3-5-7-9-11-16-22-32-28(33-25(31)19-15-10-8-6-4-2)21-20-24(26(29)27(28)30)23-17-13-12-14-18-23/h12-14,17-18,20-21,24H,3-11,15-16,19,22H2,1-2H3