4-butoxy-3-oxidanyl-4-oxidanylidene-butanethioic S-acid

Systemtic Name: 4-butoxy-3-oxidanyl-4-oxidanylidene-butanethioic S-acid Openeye Name: 4-butoxy-3-hydroxy-4-oxo-butanethioic S-acid CAS Name: 4-butoxy-3-hydroxy-4-oxobutanethioic S-acid IUPAC Name: 4-butoxy-3-hydroxy-4-oxobutanethioic S-acid Traditional Name: 4-butoxy-3-hydroxy-4-keto-thiobutyric acid Formula: C8H14O4S MolecularWeight: 206.25936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC(=O)S)O

Isomeric SMILES

CCCCOC(=O)C(CC(=O)S)O

InChI

InChI=1S/C8H14O4S/c1-2-3-4-12-8(11)6(9)5-7(10)13/h6,9H,2-5H2,1H3,(H,10,13)