3-oxidanylidene-2-(2-sulfanyloxyethanoyl)hexanoic acid

Systemtic Name: 3-oxidanylidene-2-(2-sulfanyloxyethanoyl)hexanoic acid Openeye Name: 3-oxo-2-(2-sulfanyloxyacetyl)hexanoic acid CAS Name: 2-(2-mercaptooxy-1-oxoethyl)-3-oxohexanoic acid IUPAC Name: 3-oxo-2-(2-sulfanyloxyacetyl)hexanoic acid Traditional Name: 3-keto-2-(2-mercaptooxyacetyl)hexanoic acid Formula: C8H12O5S MolecularWeight: 220.24288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C(=O)COS)C(=O)O

Isomeric SMILES

CCCC(=O)C(C(=O)COS)C(=O)O

InChI

InChI=1S/C8H12O5S/c1-2-3-5(9)7(8(11)12)6(10)4-13-14/h7,14H,2-4H2,1H3,(H,11,12)