3-oxidanyl-4-oxidanylidene-4-(2-oxidanylpropoxy)butanethioate

Systemtic Name: 3-oxidanyl-4-oxidanylidene-4-(2-oxidanylpropoxy)butanethioate Openeye Name: 3-hydroxy-4-(2-hydroxypropoxy)-4-oxo-butanethioate CAS Name: 3-hydroxy-4-(2-hydroxypropoxy)-4-oxobutanethioate IUPAC Name: 3-hydroxy-4-(2-hydroxypropoxy)-4-oxobutanethioate Traditional Name: 3-hydroxy-4-(2-hydroxypropoxy)-4-keto-thiobutyrate Formula: C7H11O5S- MolecularWeight: 207.22424

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C(CC(=S)[O-])O)O

Isomeric SMILES

CC(COC(=O)C(CC(=S)[O-])O)O

InChI

InChI=1S/C7H12O5S/c1-4(8)3-12-7(11)5(9)2-6(10)13/h4-5,8-9H,2-3H2,1H3,(H,10,13)/p-1