2-chloranyl-3-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-propanoate

Systemtic Name: 2-chloranyl-3-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-propanoate Openeye Name: 2-chloro-3-(2-isopropoxy-2-oxo-ethyl)sulfanyl-propanoate CAS Name: 2-chloro-3-[(2-oxo-2-propan-2-yloxyethyl)thio]propanoate IUPAC Name: 2-chloro-3-(2-oxo-2-propan-2-yloxyethyl)sulfanylpropanoate Traditional Name: 2-chloro-3-[(2-isopropoxy-2-keto-ethyl)thio]propionate Formula: C8H12ClO4S- MolecularWeight: 239.69648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSCC(C(=O)[O-])Cl

Isomeric SMILES

CC(C)OC(=O)CSCC(C(=O)[O-])Cl

InChI

InChI=1S/C8H13ClO4S/c1-5(2)13-7(10)4-14-3-6(9)8(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)/p-1