1-[2-fluoranyl-4-[4-(4-octoxyphenyl)phenyl]carbonyl-phenyl]nonan-1-one

Systemtic Name: 1-[2-fluoranyl-4-[4-(4-octoxyphenyl)phenyl]carbonyl-phenyl]nonan-1-one Openeye Name: 1-[2-fluoro-4-[4-(4-octoxyphenyl)benzoyl]phenyl]nonan-1-one CAS Name: 1-[2-fluoro-4-[[4-(4-octoxyphenyl)phenyl]-oxomethyl]phenyl]-1-nonanone IUPAC Name: 1-[2-fluoro-4-[4-(4-octoxyphenyl)benzoyl]phenyl]nonan-1-one Traditional Name: 1-[2-fluoro-4-[4-(4-octoxyphenyl)benzoyl]phenyl]nonan-1-one Formula: C36H45FO3 MolecularWeight: 544.739103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC)F

Isomeric SMILES

CCCCCCCCC(=O)C1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC)F

InChI

InChI=1S/C36H45FO3/c1-3-5-7-9-11-13-15-35(38)33-25-22-31(27-34(33)37)36(39)30-18-16-28(17-19-30)29-20-23-32(24-21-29)40-26-14-12-10-8-6-4-2/h16-25,27H,3-15,26H2,1-2H3