1-phenylethyl docosanoate

Systemtic Name: 1-phenylethyl docosanoate Openeye Name: 1-phenylethyl docosanoate CAS Name: docosanoic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl docosanoate Traditional Name: behenic acid 1-phenylethyl ester Formula: C30H52O2 MolecularWeight: 444.73268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)C1=CC=CC=C1

InChI

InChI=1S/C30H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30(31)32-28(2)29-25-22-21-23-26-29/h21-23,25-26,28H,3-20,24,27H2,1-2H3