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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSCCC(=O)O

InChI

InChI=1S/C11H12O4S/c12-11(13)3-4-16-6-8-1-2-9-10(5-8)15-7-14-9/h1-2,5H,3-4,6-7H2,(H,12,13)