3-[2-oxidanylidene-3-(4-tetradecoxyphenoxy)propyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-oxidanylidene-3-(4-tetradecoxyphenoxy)propyl]sulfanylpropanoic acid Openeye Name: 3-[2-oxo-3-(4-tetradecoxyphenoxy)propyl]sulfanylpropanoic acid CAS Name: 3-[[2-oxo-3-(4-tetradecoxyphenoxy)propyl]thio]propanoic acid IUPAC Name: 3-[2-oxo-3-(4-tetradecoxyphenoxy)propyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-3-(4-myristyloxyphenoxy)propyl]thio]propionic acid Formula: C26H42O5S MolecularWeight: 466.67368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)CSCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)CSCCC(=O)O

InChI

InChI=1S/C26H42O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-30-24-14-16-25(17-15-24)31-21-23(27)22-32-20-18-26(28)29/h14-17H,2-13,18-22H2,1H3,(H,28,29)