2-[3-(1,3-benzodioxol-5-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C=C1)OCO2)SCC(=O)O

Isomeric SMILES

COC(=O)C(CC1=CC2=C(C=C1)OCO2)SCC(=O)O

InChI

InChI=1S/C13H14O6S/c1-17-13(16)11(20-6-12(14)15)5-8-2-3-9-10(4-8)19-7-18-9/h2-4,11H,5-7H2,1H3,(H,14,15)