(4-nonylphenyl) benzoate

Systemtic Name: (4-nonylphenyl) benzoate Openeye Name: (4-nonylphenyl) benzoate CAS Name: benzoic acid (4-nonylphenyl) ester IUPAC Name: (4-nonylphenyl) benzoate Traditional Name: benzoic acid (4-nonylphenyl) ester Formula: C22H28O2 MolecularWeight: 324.45652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H28O2/c1-2-3-4-5-6-7-9-12-19-15-17-21(18-16-19)24-22(23)20-13-10-8-11-14-20/h8,10-11,13-18H,2-7,9,12H2,1H3