(4-pentylphenyl) 4-butylbenzoate

Systemtic Name: (4-pentylphenyl) 4-butylbenzoate Openeye Name: (4-pentylphenyl) 4-butylbenzoate CAS Name: 4-butylbenzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-butylbenzoate Traditional Name: 4-butylbenzoic acid (4-amylphenyl) ester Formula: C22H28O2 MolecularWeight: 324.45652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC

InChI

InChI=1S/C22H28O2/c1-3-5-7-9-19-12-16-21(17-13-19)24-22(23)20-14-10-18(11-15-20)8-6-4-2/h10-17H,3-9H2,1-2H3