2-(1,3-benzodioxol-5-ylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)propanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)propanoic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)propanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)propanoic acid Traditional Name: 2-(piperonylthio)propionic acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C(=O)O)SCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C11H12O4S/c1-7(11(12)13)16-5-8-2-3-9-10(4-8)15-6-14-9/h2-4,7H,5-6H2,1H3,(H,12,13)