[4-(2-butanoyloxypropanoyl)phenyl] 4-octylbenzoate

Systemtic Name: [4-(2-butanoyloxypropanoyl)phenyl] 4-octylbenzoate Openeye Name: [4-(2-butanoyloxypropanoyl)phenyl] 4-octylbenzoate CAS Name: 4-octylbenzoic acid [4-[1-oxo-2-(1-oxobutoxy)propyl]phenyl] ester IUPAC Name: [4-(2-butanoyloxypropanoyl)phenyl] 4-octylbenzoate Traditional Name: 4-octylbenzoic acid [4-(2-butyryloxypropanoyl)phenyl] ester Formula: C28H36O5 MolecularWeight: 452.58244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C(C)OC(=O)CCC

InChI

InChI=1S/C28H36O5/c1-4-6-7-8-9-10-12-22-13-15-24(16-14-22)28(31)33-25-19-17-23(18-20-25)27(30)21(3)32-26(29)11-5-2/h13-21H,4-12H2,1-3H3