[4-[1,1,1-tris(fluoranyl)-3-oxidanylidene-3-propoxy-propan-2-yl]oxycarbonylphenyl] 4-pentylbenzoate

Systemtic Name: [4-[1,1,1-tris(fluoranyl)-3-oxidanylidene-3-propoxy-propan-2-yl]oxycarbonylphenyl] 4-pentylbenzoate Openeye Name: [4-(2,2,2-trifluoro-1-propoxycarbonyl-ethoxy)carbonylphenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [4-[oxo-(1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl)oxymethyl]phenyl] ester IUPAC Name: [4-(1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl)oxycarbonylphenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [4-(2,2,2-trifluoro-1-propoxycarbonyl-ethoxy)carbonylphenyl] ester Formula: C25H27F3O6 MolecularWeight: 480.47349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCC)C(F)(F)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCC)C(F)(F)F

InChI

InChI=1S/C25H27F3O6/c1-3-5-6-7-17-8-10-18(11-9-17)22(29)33-20-14-12-19(13-15-20)23(30)34-21(25(26,27)28)24(31)32-16-4-2/h8-15,21H,3-7,16H2,1-2H3