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

Systemtic Name: [4-[1,1,1-tris(fluoranyl)-3-oxidanylidene-3-pentoxy-propan-2-yl]oxycarbonylphenyl] 4-heptoxybenzoate Openeye Name: [4-(2,2,2-trifluoro-1-pentoxycarbonyl-ethoxy)carbonylphenyl] 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic 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-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid [4-(1-amoxycarbonyl-2,2,2-trifluoro-ethoxy)carbonylphenyl] ester Formula: C29H35F3O7 MolecularWeight: 552.57921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCCCC)C(F)(F)F

InChI

InChI=1S/C29H35F3O7/c1-3-5-7-8-10-19-36-23-15-11-21(12-16-23)26(33)38-24-17-13-22(14-18-24)27(34)39-25(29(30,31)32)28(35)37-20-9-6-4-2/h11-18,25H,3-10,19-20H2,1-2H3