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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CS(=O)(=O)O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCSC(CS(=O)(=O)O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C11H14O5S2/c1-2-17-11(6-18(12,13)14)8-3-4-9-10(5-8)16-7-15-9/h3-5,11H,2,6-7H2,1H3,(H,12,13,14)