3-(2,5-diethoxyphenyl)sulfanylpropanoic acid

Systemtic Name: 3-(2,5-diethoxyphenyl)sulfanylpropanoic acid Openeye Name: 3-(2,5-diethoxyphenyl)sulfanylpropanoic acid CAS Name: 3-[(2,5-diethoxyphenyl)thio]propanoic acid IUPAC Name: 3-(2,5-diethoxyphenyl)sulfanylpropanoic acid Traditional Name: 3-[(2,5-diethoxyphenyl)thio]propionic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)SCCC(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)SCCC(=O)O

InChI

InChI=1S/C13H18O4S/c1-3-16-10-5-6-11(17-4-2)12(9-10)18-8-7-13(14)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15)