2-(1,3-benzodioxol-5-yl)ethanethioic S-acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethanethioic S-acid Openeye Name: 2-(1,3-benzodioxol-5-yl)ethanethioic S-acid CAS Name: 2-(1,3-benzodioxol-5-yl)ethanethioic S-acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethanethioic S-acid Traditional Name: 2-(1,3-benzodioxol-5-yl)thioacetic acid Formula: C9H8O3S MolecularWeight: 196.22302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O3S/c10-9(13)4-6-1-2-7-8(3-6)12-5-11-7/h1-3H,4-5H2,(H,10,13)