phenyl 4-(2-fluoranyloctoxy)-2-octoxy-benzoate

Systemtic Name: phenyl 4-(2-fluoranyloctoxy)-2-octoxy-benzoate Openeye Name: phenyl 4-(2-fluorooctoxy)-2-octoxy-benzoate CAS Name: 4-(2-fluorooctoxy)-2-octoxybenzoic acid phenyl ester IUPAC Name: phenyl 4-(2-fluorooctoxy)-2-octoxybenzoate Traditional Name: 4-(2-fluorooctoxy)-2-octoxy-benzoic acid phenyl ester Formula: C29H41FO4 MolecularWeight: 472.631843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)OCC(CCCCCC)F)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)OCC(CCCCCC)F)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C29H41FO4/c1-3-5-7-9-10-15-21-32-28-22-26(33-23-24(30)16-12-8-6-4-2)19-20-27(28)29(31)34-25-17-13-11-14-18-25/h11,13-14,17-20,22,24H,3-10,12,15-16,21,23H2,1-2H3