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

Systemtic Name: 3-(2-hexadecoxyphenyl)-3-oxidanylidene-propanoic acid Openeye Name: 3-(2-hexadecoxyphenyl)-3-oxo-propanoic acid CAS Name: 3-(2-hexadecoxyphenyl)-3-oxopropanoic acid IUPAC Name: 3-(2-hexadecoxyphenyl)-3-oxopropanoic acid Traditional Name: 3-(2-cetyloxyphenyl)-3-keto-propionic acid Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)O

InChI

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