2-(phenylmethyl)icosanoate

Systemtic Name: 2-(phenylmethyl)icosanoate Openeye Name: 2-benzylicosanoate CAS Name: 2-(phenylmethyl)eicosanoate IUPAC Name: 2-benzylicosanoate Traditional Name: 2-benzylarachidate Formula: C27H45O2- MolecularWeight: 401.645

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(27(28)29)24-25-21-18-17-19-22-25/h17-19,21-22,26H,2-16,20,23-24H2,1H3,(H,28,29)/p-1