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

Systemtic Name: [4-[1,1,1-tris(fluoranyl)-3-oxidanylidene-3-propoxy-propan-2-yl]oxycarbonylphenyl] 4-hexylbenzoate Openeye Name: [4-(2,2,2-trifluoro-1-propoxycarbonyl-ethoxy)carbonylphenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic 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-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-(2,2,2-trifluoro-1-propoxycarbonyl-ethoxy)carbonylphenyl] ester Formula: C26H29F3O6 MolecularWeight: 494.50007

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCC)C(F)(F)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCC)C(F)(F)F

InChI

InChI=1S/C26H29F3O6/c1-3-5-6-7-8-18-9-11-19(12-10-18)23(30)34-21-15-13-20(14-16-21)24(31)35-22(26(27,28)29)25(32)33-17-4-2/h9-16,22H,3-8,17H2,1-2H3