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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]ethanesulfonic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]ethanesulfonic acid CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethylthio]ethanesulfonic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]ethanesulfonic acid Traditional Name: 2-(homopiperonylthio)ethanesulfonic acid Formula: C11H14O5S2 MolecularWeight: 290.35586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O5S2/c12-18(13,14)6-5-17-4-3-9-1-2-10-11(7-9)16-8-15-10/h1-2,7H,3-6,8H2,(H,12,13,14)