[4-[3-butoxy-1,1,1-tris(fluoranyl)-3-oxidanylidene-propan-2-yl]oxycarbonylphenyl] 4-(4-heptoxyphenyl)benzoate

Systemtic Name: [4-[3-butoxy-1,1,1-tris(fluoranyl)-3-oxidanylidene-propan-2-yl]oxycarbonylphenyl] 4-(4-heptoxyphenyl)benzoate Openeye Name: [4-(1-butoxycarbonyl-2,2,2-trifluoro-ethoxy)carbonylphenyl] 4-(4-heptoxyphenyl)benzoate CAS Name: 4-(4-heptoxyphenyl)benzoic acid [4-[(3-butoxy-1,1,1-trifluoro-3-oxopropan-2-yl)oxy-oxomethyl]phenyl] ester IUPAC Name: [4-(3-butoxy-1,1,1-trifluoro-3-oxopropan-2-yl)oxycarbonylphenyl] 4-(4-heptoxyphenyl)benzoate Traditional Name: 4-(4-heptoxyphenyl)benzoic acid [4-(1-butoxycarbonyl-2,2,2-trifluoro-ethoxy)carbonylphenyl] ester Formula: C34H37F3O7 MolecularWeight: 614.64859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C(=O)OCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C(=O)OCCCC)C(F)(F)F

InChI

InChI=1S/C34H37F3O7/c1-3-5-7-8-9-23-41-28-18-14-25(15-19-28)24-10-12-26(13-11-24)31(38)43-29-20-16-27(17-21-29)32(39)44-30(34(35,36)37)33(40)42-22-6-4-2/h10-21,30H,3-9,22-23H2,1-2H3