2-[3-(4-decoxyphenoxy)-2-oxidanylidene-propyl]sulfanylethanoic acid

Systemtic Name: 2-[3-(4-decoxyphenoxy)-2-oxidanylidene-propyl]sulfanylethanoic acid Openeye Name: 2-[3-(4-decoxyphenoxy)-2-oxo-propyl]sulfanylacetic acid CAS Name: 2-[[3-(4-decoxyphenoxy)-2-oxopropyl]thio]acetic acid IUPAC Name: 2-[3-(4-decoxyphenoxy)-2-oxopropyl]sulfanylacetic acid Traditional Name: 2-[[3-(4-decoxyphenoxy)-2-keto-propyl]thio]acetic acid Formula: C21H32O5S MolecularWeight: 396.54078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)CSCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)CSCC(=O)O

InChI

InChI=1S/C21H32O5S/c1-2-3-4-5-6-7-8-9-14-25-19-10-12-20(13-11-19)26-15-18(22)16-27-17-21(23)24/h10-13H,2-9,14-17H2,1H3,(H,23,24)