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

Systemtic Name: [4-[1,1,1-tris(fluoranyl)-3-oxidanylidene-3-pentoxy-propan-2-yl]oxycarbonylphenyl] 4-hexoxybenzoate Openeye Name: [4-(2,2,2-trifluoro-1-pentoxycarbonyl-ethoxy)carbonylphenyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [4-[oxo-(1,1,1-trifluoro-3-oxo-3-pentoxypropan-2-yl)oxymethyl]phenyl] ester IUPAC Name: [4-(1,1,1-trifluoro-3-oxo-3-pentoxypropan-2-yl)oxycarbonylphenyl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [4-(1-amoxycarbonyl-2,2,2-trifluoro-ethoxy)carbonylphenyl] ester Formula: C28H33F3O7 MolecularWeight: 538.55263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCCCC)C(F)(F)F

InChI

InChI=1S/C28H33F3O7/c1-3-5-7-9-18-35-22-14-10-20(11-15-22)25(32)37-23-16-12-21(13-17-23)26(33)38-24(28(29,30)31)27(34)36-19-8-6-4-2/h10-17,24H,3-9,18-19H2,1-2H3