1-fluoranyloctan-2-yl 4-(4-octoxyphenyl)benzoate

Systemtic Name: 1-fluoranyloctan-2-yl 4-(4-octoxyphenyl)benzoate Openeye Name: 1-(fluoromethyl)heptyl 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid 1-fluorooctan-2-yl ester IUPAC Name: 1-fluorooctan-2-yl 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid 1-(fluoromethyl)heptyl ester Formula: C29H41FO3 MolecularWeight: 456.632443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(CCCCCC)CF

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(CCCCCC)CF

InChI

InChI=1S/C29H41FO3/c1-3-5-7-9-10-12-22-32-27-20-18-25(19-21-27)24-14-16-26(17-15-24)29(31)33-28(23-30)13-11-8-6-4-2/h14-21,28H,3-13,22-23H2,1-2H3