1-fluoranyloctyl 5-octoxy-2-phenyl-benzoate

Systemtic Name: 1-fluoranyloctyl 5-octoxy-2-phenyl-benzoate Openeye Name: 1-fluorooctyl 5-octoxy-2-phenyl-benzoate CAS Name: 5-octoxy-2-phenylbenzoic acid 1-fluorooctyl ester IUPAC Name: 1-fluorooctyl 5-octoxy-2-phenylbenzoate Traditional Name: 5-octoxy-2-phenyl-benzoic acid 1-fluorooctyl ester Formula: C29H41FO3 MolecularWeight: 456.632443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OC(CCCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OC(CCCCCCC)F

InChI

InChI=1S/C29H41FO3/c1-3-5-7-9-11-16-22-32-25-20-21-26(24-17-13-12-14-18-24)27(23-25)29(31)33-28(30)19-15-10-8-6-4-2/h12-14,17-18,20-21,23,28H,3-11,15-16,19,22H2,1-2H3