(4-octylphenyl) benzoate

Systemtic Name: (4-octylphenyl) benzoate Openeye Name: (4-octylphenyl) benzoate CAS Name: benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) benzoate Traditional Name: benzoic acid (4-octylphenyl) ester Formula: C21H26O2 MolecularWeight: 310.42994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O2/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)23-21(22)19-12-9-7-10-13-19/h7,9-10,12-17H,2-6,8,11H2,1H3