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

Systemtic Name: [4-[1,1,1-tris(fluoranyl)-3-oxidanylidene-3-pentoxy-propan-2-yl]oxycarbonylphenyl] 4-octoxybenzoate Openeye Name: [4-(2,2,2-trifluoro-1-pentoxycarbonyl-ethoxy)carbonylphenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic 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-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-(1-amoxycarbonyl-2,2,2-trifluoro-ethoxy)carbonylphenyl] ester Formula: C30H37F3O7 MolecularWeight: 566.60579

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCCCC)C(F)(F)F

InChI

InChI=1S/C30H37F3O7/c1-3-5-7-8-9-11-20-37-24-16-12-22(13-17-24)27(34)39-25-18-14-23(15-19-25)28(35)40-26(30(31,32)33)29(36)38-21-10-6-4-2/h12-19,26H,3-11,20-21H2,1-2H3