3-phenylpropyl octadecanoate

Systemtic Name: 3-phenylpropyl octadecanoate Openeye Name: 3-phenylpropyl octadecanoate CAS Name: octadecanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl octadecanoate Traditional Name: stearic acid 3-phenylpropyl ester Formula: C27H46O2 MolecularWeight: 402.65294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-27(28)29-25-20-23-26-21-17-16-18-22-26/h16-18,21-22H,2-15,19-20,23-25H2,1H3