2-[(4-chloranyl-5-oxidanylidene-1,2-dithiol-3-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(4-chloranyl-5-oxidanylidene-1,2-dithiol-3-yl)sulfanyl]propanoic acid Openeye Name: 2-(4-chloro-5-oxo-dithiol-3-yl)sulfanylpropanoic acid CAS Name: 2-[(4-chloro-5-oxo-3-dithiolyl)thio]propanoic acid IUPAC Name: 2-(4-chloro-5-oxodithiol-3-yl)sulfanylpropanoic acid Traditional Name: 2-[(4-chloro-5-keto-dithiol-3-yl)thio]propionic acid Formula: C6H5ClO3S3 MolecularWeight: 256.7501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C(=O)SS1)Cl

Isomeric SMILES

CC(C(=O)O)SC1=C(C(=O)SS1)Cl

InChI

InChI=1S/C6H5ClO3S3/c1-2(4(8)9)11-6-3(7)5(10)12-13-6/h2H,1H3,(H,8,9)