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

Systemtic Name: 3-[3-(4-hexoxyphenoxy)-2-oxidanylidene-propyl]sulfanylpropanoic acid Openeye Name: 3-[3-(4-hexoxyphenoxy)-2-oxo-propyl]sulfanylpropanoic acid CAS Name: 3-[[3-(4-hexoxyphenoxy)-2-oxopropyl]thio]propanoic acid IUPAC Name: 3-[3-(4-hexoxyphenoxy)-2-oxopropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-(4-hexoxyphenoxy)-2-keto-propyl]thio]propionic acid Formula: C18H26O5S MolecularWeight: 354.46104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OCC(=O)CSCCC(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OCC(=O)CSCCC(=O)O

InChI

InChI=1S/C18H26O5S/c1-2-3-4-5-11-22-16-6-8-17(9-7-16)23-13-15(19)14-24-12-10-18(20)21/h6-9H,2-5,10-14H2,1H3,(H,20,21)