[4-(3-fluoranyl-4-octan-2-yloxy-phenyl)phenyl] 4-butylbenzoate

Systemtic Name: [4-(3-fluoranyl-4-octan-2-yloxy-phenyl)phenyl] 4-butylbenzoate Openeye Name: [4-[3-fluoro-4-(1-methylheptoxy)phenyl]phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-(3-fluoro-4-octan-2-yloxyphenyl)phenyl] ester IUPAC Name: [4-(3-fluoro-4-octan-2-yloxyphenyl)phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-[3-fluoro-4-(1-methylheptoxy)phenyl]phenyl] ester Formula: C31H37FO3 MolecularWeight: 476.622083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)F

InChI

InChI=1S/C31H37FO3/c1-4-6-8-9-10-23(3)34-30-21-18-27(22-29(30)32)25-16-19-28(20-17-25)35-31(33)26-14-12-24(13-15-26)11-7-5-2/h12-23H,4-11H2,1-3H3