1-butanoyloxypropan-2-yl 4-(4-octylphenyl)benzoate

Systemtic Name: 1-butanoyloxypropan-2-yl 4-(4-octylphenyl)benzoate Openeye Name: (2-butanoyloxy-1-methyl-ethyl) 4-(4-octylphenyl)benzoate CAS Name: 4-(4-octylphenyl)benzoic acid 1-(1-oxobutoxy)propan-2-yl ester IUPAC Name: 1-butanoyloxypropan-2-yl 4-(4-octylphenyl)benzoate Traditional Name: 4-(4-octylphenyl)benzoic acid (2-butyryloxy-1-methyl-ethyl) ester Formula: C28H38O4 MolecularWeight: 438.59892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38O4/c1-4-6-7-8-9-10-12-23-13-15-24(16-14-23)25-17-19-26(20-18-25)28(30)32-22(3)21-31-27(29)11-5-2/h13-20,22H,4-12,21H2,1-3H3