3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoic acid Openeye Name: 3-(2-octadecoxyphenyl)-3-oxo-propanoic acid CAS Name: 3-(2-octadecoxyphenyl)-3-oxopropanoic acid IUPAC Name: 3-(2-octadecoxyphenyl)-3-oxopropanoic acid Traditional Name: 3-keto-3-(2-stearyloxyphenyl)propionic acid Formula: C27H44O4 MolecularWeight: 432.63586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)O

InChI

InChI=1S/C27H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-31-26-21-18-17-20-24(26)25(28)23-27(29)30/h17-18,20-21H,2-16,19,22-23H2,1H3,(H,29,30)