[6,6-bis(fluoranyl)-1-octoxy-4-phenyl-cyclohexa-2,4-dien-1-yl] nonanoate

Systemtic Name: [6,6-bis(fluoranyl)-1-octoxy-4-phenyl-cyclohexa-2,4-dien-1-yl] nonanoate Openeye Name: (6,6-difluoro-1-octoxy-4-phenyl-cyclohexa-2,4-dien-1-yl) nonanoate CAS Name: nonanoic acid (6,6-difluoro-1-octoxy-4-phenyl-1-cyclohexa-2,4-dienyl) ester IUPAC Name: (6,6-difluoro-1-octoxy-4-phenylcyclohexa-2,4-dien-1-yl) nonanoate Traditional Name: pelargonic acid (6,6-difluoro-1-octoxy-4-phenyl-cyclohexa-2,4-dien-1-yl) ester Formula: C29H42F2O3 MolecularWeight: 476.638786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1(C=CC(=CC1(F)F)C2=CC=CC=C2)OCCCCCCCC

Isomeric SMILES

CCCCCCCCC(=O)OC1(C=CC(=CC1(F)F)C2=CC=CC=C2)OCCCCCCCC

InChI

InChI=1S/C29H42F2O3/c1-3-5-7-9-11-16-20-27(32)34-29(33-23-17-12-10-8-6-4-2)22-21-26(24-28(29,30)31)25-18-14-13-15-19-25/h13-15,18-19,21-22,24H,3-12,16-17,20,23H2,1-2H3