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

Systemtic Name: [4-[1,1,1-tris(fluoranyl)-3-oxidanylidene-3-pentoxy-propan-2-yl]oxycarbonylphenyl] 4-pentoxybenzoate Openeye Name: [4-(2,2,2-trifluoro-1-pentoxycarbonyl-ethoxy)carbonylphenyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic 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-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [4-(1-amoxycarbonyl-2,2,2-trifluoro-ethoxy)carbonylphenyl] ester Formula: C27H31F3O7 MolecularWeight: 524.52605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCCCC)C(F)(F)F

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C(=O)OCCCCC)C(F)(F)F

InChI

InChI=1S/C27H31F3O7/c1-3-5-7-17-34-21-13-9-19(10-14-21)24(31)36-22-15-11-20(12-16-22)25(32)37-23(27(28,29)30)26(33)35-18-8-6-4-2/h9-16,23H,3-8,17-18H2,1-2H3