2-hexadecoxy-3-(4-methoxyphenyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-hexadecoxy-3-(4-methoxyphenyl)-3-oxidanylidene-propanoic acid Openeye Name: 2-hexadecoxy-3-(4-methoxyphenyl)-3-oxo-propanoic acid CAS Name: 2-hexadecoxy-3-(4-methoxyphenyl)-3-oxopropanoic acid IUPAC Name: 2-hexadecoxy-3-(4-methoxyphenyl)-3-oxopropanoic acid Traditional Name: 2-cetyloxy-3-keto-3-(4-methoxyphenyl)propionic acid Formula: C26H42O5 MolecularWeight: 434.60868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31-25(26(28)29)24(27)22-17-19-23(30-2)20-18-22/h17-20,25H,3-16,21H2,1-2H3,(H,28,29)