octadecyl 3-phenylpropanoate

Systemtic Name: octadecyl 3-phenylpropanoate Openeye Name: octadecyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid octadecyl ester IUPAC Name: octadecyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid stearyl ester Formula: C27H46O2 MolecularWeight: 402.65294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC=CC=C1

InChI

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