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

Systemtic Name: [4-[1,1,1-tris(fluoranyl)-3-oxidanylidene-3-propoxy-propan-2-yl]oxycarbonylphenyl] 4-decylbenzoate Openeye Name: [4-(2,2,2-trifluoro-1-propoxycarbonyl-ethoxy)carbonylphenyl] 4-decylbenzoate CAS Name: 4-decylbenzoic 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-decylbenzoate Traditional Name: 4-decylbenzoic acid [4-(2,2,2-trifluoro-1-propoxycarbonyl-ethoxy)carbonylphenyl] ester Formula: C30H37F3O6 MolecularWeight: 550.60639

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCC)C(F)(F)F

InChI

InChI=1S/C30H37F3O6/c1-3-5-6-7-8-9-10-11-12-22-13-15-23(16-14-22)27(34)38-25-19-17-24(18-20-25)28(35)39-26(30(31,32)33)29(36)37-21-4-2/h13-20,26H,3-12,21H2,1-2H3