2-(2-octadecylphenoxy)benzoate

Systemtic Name: 2-(2-octadecylphenoxy)benzoate Openeye Name: 2-(2-octadecylphenoxy)benzoate CAS Name: 2-(2-octadecylphenoxy)benzoate IUPAC Name: 2-(2-octadecylphenoxy)benzoate Traditional Name: 2-(2-stearylphenoxy)benzoate Formula: C31H45O3- MolecularWeight: 465.6872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC=C1OC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC=C1OC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C31H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-23-18-20-25-29(27)34-30-26-21-19-24-28(30)31(32)33/h18-21,23-26H,2-17,22H2,1H3,(H,32,33)/p-1