4-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2-sulfanylidene-butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2-sulfanylidene-butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2-thioxo-butanoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2-sulfanylidenebutanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2-sulfanylidenebutanoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2-thioxo-butyric acid Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=C(C=C1)OCO2)C(=S)C(=O)O

Isomeric SMILES

CC(C)(CC1=CC2=C(C=C1)OCO2)C(=S)C(=O)O

InChI

InChI=1S/C13H14O4S/c1-13(2,11(18)12(14)15)6-8-3-4-9-10(5-8)17-7-16-9/h3-5H,6-7H2,1-2H3,(H,14,15)