(3-fluoranyl-4-octoxy-phenyl) 1-octan-2-yloxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: (3-fluoranyl-4-octoxy-phenyl) 1-octan-2-yloxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: (3-fluoro-4-octoxy-phenyl) 1-(1-methylheptoxy)-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-octan-2-yloxy-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid (3-fluoro-4-octoxyphenyl) ester IUPAC Name: (3-fluoro-4-octoxyphenyl) 1-octan-2-yloxy-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-(1-methylheptoxy)-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid (3-fluoro-4-octoxy-phenyl) ester Formula: C35H47FO4 MolecularWeight: 550.743683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)OC(=O)C2(C=CC(C=C2)C3=CC=CC=C3)OC(C)CCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)OC(=O)C2(C=CC(C=C2)C3=CC=CC=C3)OC(C)CCCCCC)F

InChI

InChI=1S/C35H47FO4/c1-4-6-8-10-11-16-26-38-33-21-20-31(27-32(33)36)39-34(37)35(40-28(3)17-13-9-7-5-2)24-22-30(23-25-35)29-18-14-12-15-19-29/h12,14-15,18-25,27-28,30H,4-11,13,16-17,26H2,1-3H3