2-chloranyl-2-(3-oxidanylidenecyclohexen-1-yl)ethanethioic S-acid

Systemtic Name: 2-chloranyl-2-(3-oxidanylidenecyclohexen-1-yl)ethanethioic S-acid Openeye Name: 2-chloro-2-(3-oxocyclohexen-1-yl)ethanethioic S-acid CAS Name: 2-chloro-2-(3-oxo-1-cyclohexenyl)ethanethioic S-acid IUPAC Name: 2-chloro-2-(3-oxocyclohexen-1-yl)ethanethioic S-acid Traditional Name: 2-chloro-2-(3-ketocyclohexen-1-yl)thioacetic acid Formula: C8H9ClO2S MolecularWeight: 204.67386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)C(C(=O)S)Cl

Isomeric SMILES

C1CC(=CC(=O)C1)C(C(=O)S)Cl

InChI

InChI=1S/C8H9ClO2S/c9-7(8(11)12)5-2-1-3-6(10)4-5/h4,7H,1-3H2,(H,11,12)