3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]propionic acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CSCCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CSCCC(=O)O

InChI

InChI=1S/C13H14O5S/c14-10(8-19-6-3-13(15)16)9-1-2-11-12(7-9)18-5-4-17-11/h1-2,7H,3-6,8H2,(H,15,16)