2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-methyl-butanoic acid

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-methyl-butanoic acid Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-methyl-butanoic acid CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-methylbutanoic acid IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-methylbutanoic acid Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-methyl-butyric acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)C(C(=O)O)SC1=CC2=C(C=C1)OCCO2

InChI

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