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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)propan-2-ylsulfanyl]ethanoic acid Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]sulfanylacetic acid CAS Name: 2-[2-(1,3-benzodioxol-5-yl)propan-2-ylthio]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)propan-2-ylsulfanyl]acetic acid Traditional Name: 2-[[1-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]thio]acetic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=C(C=C1)OCO2)SCC(=O)O

Isomeric SMILES

CC(C)(C1=CC2=C(C=C1)OCO2)SCC(=O)O

InChI

InChI=1S/C12H14O4S/c1-12(2,17-6-11(13)14)8-3-4-9-10(5-8)16-7-15-9/h3-5H,6-7H2,1-2H3,(H,13,14)