3-(1,3-benzodioxol-5-yl)-2-sulfanylidene-propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-sulfanylidene-propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-thioxo-propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-2-sulfanylidenepropanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-sulfanylidenepropanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-thioxo-propionic acid Formula: C10H8O4S MolecularWeight: 224.23312

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(=S)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(=S)C(=O)O

InChI

InChI=1S/C10H8O4S/c11-10(12)9(15)4-6-1-2-7-8(3-6)14-5-13-7/h1-3H,4-5H2,(H,11,12)