2-hexadecoxy-3-oxidanylidene-3-phenyl-propanoic acid

Systemtic Name: 2-hexadecoxy-3-oxidanylidene-3-phenyl-propanoic acid Openeye Name: 2-hexadecoxy-3-oxo-3-phenyl-propanoic acid CAS Name: 2-hexadecoxy-3-oxo-3-phenylpropanoic acid IUPAC Name: 2-hexadecoxy-3-oxo-3-phenylpropanoic acid Traditional Name: 2-cetyloxy-3-keto-3-phenyl-propionic acid Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-29-24(25(27)28)23(26)22-19-16-15-17-20-22/h15-17,19-20,24H,2-14,18,21H2,1H3,(H,27,28)