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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)ethanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)acetic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)acetic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)acetic acid Traditional Name: 2-(piperonylthio)acetic acid Formula: C10H10O4S MolecularWeight: 226.249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O4S/c11-10(12)5-15-4-7-1-2-8-9(3-7)14-6-13-8/h1-3H,4-6H2,(H,11,12)