[4,4,4-tris(fluoranyl)-1-naphthalen-2-yl-3-(phenylcarbonyloxy)butyl] benzoate

Systemtic Name: [4,4,4-tris(fluoranyl)-1-naphthalen-2-yl-3-(phenylcarbonyloxy)butyl] benzoate Openeye Name: [3-benzoyloxy-4,4,4-trifluoro-1-(2-naphthyl)butyl] benzoate CAS Name: benzoic acid [3-benzoyloxy-4,4,4-trifluoro-1-(2-naphthalenyl)butyl] ester IUPAC Name: (3-benzoyloxy-4,4,4-trifluoro-1-naphthalen-2-ylbutyl) benzoate Traditional Name: benzoic acid [3-benzoyloxy-4,4,4-trifluoro-1-(2-naphthyl)butyl] ester Formula: C28H21F3O4 MolecularWeight: 478.45915

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(CC(C(F)(F)F)OC(=O)C2=CC=CC=C2)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(CC(C(F)(F)F)OC(=O)C2=CC=CC=C2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H21F3O4/c29-28(30,31)25(35-27(33)21-12-5-2-6-13-21)18-24(34-26(32)20-10-3-1-4-11-20)23-16-15-19-9-7-8-14-22(19)17-23/h1-17,24-25H,18H2