[3-(4-hexoxyphenyl)-4-phenyl-phenyl] 2-fluoranyl-2-methyl-heptanoate

Systemtic Name: [3-(4-hexoxyphenyl)-4-phenyl-phenyl] 2-fluoranyl-2-methyl-heptanoate Openeye Name: [3-(4-hexoxyphenyl)-4-phenyl-phenyl] 2-fluoro-2-methyl-heptanoate CAS Name: 2-fluoro-2-methylheptanoic acid [3-(4-hexoxyphenyl)-4-phenylphenyl] ester IUPAC Name: [3-(4-hexoxyphenyl)-4-phenylphenyl] 2-fluoro-2-methylheptanoate Traditional Name: 2-fluoro-2-methyl-enanthic acid [3-(4-hexoxyphenyl)-4-phenyl-phenyl] ester Formula: C32H39FO3 MolecularWeight: 490.648663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=C(C=CC(=C2)OC(=O)C(C)(CCCCC)F)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=C(C=CC(=C2)OC(=O)C(C)(CCCCC)F)C3=CC=CC=C3

InChI

InChI=1S/C32H39FO3/c1-4-6-8-13-23-35-27-18-16-26(17-19-27)30-24-28(20-21-29(30)25-14-10-9-11-15-25)36-31(34)32(3,33)22-12-7-5-2/h9-11,14-21,24H,4-8,12-13,22-23H2,1-3H3