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

Systemtic Name: [4-[1,1,1-tris(fluoranyl)-3-oxidanylidene-3-propoxy-propan-2-yl]oxycarbonylphenyl] 4-nonylbenzoate Openeye Name: [4-(2,2,2-trifluoro-1-propoxycarbonyl-ethoxy)carbonylphenyl] 4-nonylbenzoate CAS Name: 4-nonylbenzoic 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-nonylbenzoate Traditional Name: 4-nonylbenzoic acid [4-(2,2,2-trifluoro-1-propoxycarbonyl-ethoxy)carbonylphenyl] ester Formula: C29H35F3O6 MolecularWeight: 536.57981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCC)C(F)(F)F

InChI

InChI=1S/C29H35F3O6/c1-3-5-6-7-8-9-10-11-21-12-14-22(15-13-21)26(33)37-24-18-16-23(17-19-24)27(34)38-25(29(30,31)32)28(35)36-20-4-2/h12-19,25H,3-11,20H2,1-2H3