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

Systemtic Name: [4-[1,1,1-tris(fluoranyl)-3-oxidanylidene-3-propoxy-propan-2-yl]oxycarbonylphenyl] 4-heptylbenzoate Openeye Name: [4-(2,2,2-trifluoro-1-propoxycarbonyl-ethoxy)carbonylphenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic 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-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [4-(2,2,2-trifluoro-1-propoxycarbonyl-ethoxy)carbonylphenyl] ester Formula: C27H31F3O6 MolecularWeight: 508.52665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCC)C(F)(F)F

InChI

InChI=1S/C27H31F3O6/c1-3-5-6-7-8-9-19-10-12-20(13-11-19)24(31)35-22-16-14-21(15-17-22)25(32)36-23(27(28,29)30)26(33)34-18-4-2/h10-17,23H,3-9,18H2,1-2H3