2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]acetic acid CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethylthio]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]acetic acid Traditional Name: 2-(homopiperonylthio)acetic acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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