2-[1-(1,3-benzodioxol-5-yl)-2-methyl-propyl]sulfanylethanoic acid

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)-2-methyl-propyl]sulfanylethanoic acid Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)-2-methyl-propyl]sulfanylacetic acid CAS Name: 2-[[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]thio]acetic acid IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfanylacetic acid Traditional Name: 2-[[1-(1,3-benzodioxol-5-yl)-2-methyl-propyl]thio]acetic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4S/c1-8(2)13(18-6-12(14)15)9-3-4-10-11(5-9)17-7-16-10/h3-5,8,13H,6-7H2,1-2H3,(H,14,15)