3-methyl-2-[(2-oxidanylidene-1,3-benzoxathiol-6-yl)oxy]butanoic acid

Systemtic Name: 3-methyl-2-[(2-oxidanylidene-1,3-benzoxathiol-6-yl)oxy]butanoic acid Openeye Name: 3-methyl-2-[(2-oxo-1,3-benzoxathiol-6-yl)oxy]butanoic acid CAS Name: 3-methyl-2-[(2-oxo-1,3-benzoxathiol-6-yl)oxy]butanoic acid IUPAC Name: 3-methyl-2-[(2-oxo-1,3-benzoxathiol-6-yl)oxy]butanoic acid Traditional Name: 2-[(2-keto-1,3-benzoxathiol-6-yl)oxy]-3-methyl-butyric acid Formula: C12H12O5S MolecularWeight: 268.28568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)OC1=CC2=C(C=C1)SC(=O)O2

Isomeric SMILES

CC(C)C(C(=O)O)OC1=CC2=C(C=C1)SC(=O)O2

InChI

InChI=1S/C12H12O5S/c1-6(2)10(11(13)14)16-7-3-4-9-8(5-7)17-12(15)18-9/h3-6,10H,1-2H3,(H,13,14)