2-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-keto-ethyl]thio]acetic acid Formula: C13H14O6S MolecularWeight: 298.31166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC2=C(C=C1)OCO2)SCC(=O)O

Isomeric SMILES

CCOC(=O)C(C1=CC2=C(C=C1)OCO2)SCC(=O)O

InChI

InChI=1S/C13H14O6S/c1-2-17-13(16)12(20-6-11(14)15)8-3-4-9-10(5-8)19-7-18-9/h3-5,12H,2,6-7H2,1H3,(H,14,15)