2-octadecanoyloxy-3-phenyl-propanoic acid

Systemtic Name: 2-octadecanoyloxy-3-phenyl-propanoic acid Openeye Name: 2-octadecanoyloxy-3-phenyl-propanoic acid CAS Name: 2-(1-oxooctadecoxy)-3-phenylpropanoic acid IUPAC Name: 2-octadecanoyloxy-3-phenylpropanoic acid Traditional Name: 3-phenyl-2-stearoyloxy-propionic acid Formula: C27H44O4 MolecularWeight: 432.63586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C27H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)31-25(27(29)30)23-24-20-17-16-18-21-24/h16-18,20-21,25H,2-15,19,22-23H2,1H3,(H,29,30)