4-(3-methyl-2-oxidanyl-octan-2-yl)oxy-3-oxidanyl-4-oxidanylidene-butanethioate

Systemtic Name: 4-(3-methyl-2-oxidanyl-octan-2-yl)oxy-3-oxidanyl-4-oxidanylidene-butanethioate Openeye Name: 3-hydroxy-4-(1-hydroxy-1,2-dimethyl-heptoxy)-4-oxo-butanethioate CAS Name: 3-hydroxy-4-(2-hydroxy-3-methyloctan-2-yl)oxy-4-oxobutanethioate IUPAC Name: 3-hydroxy-4-(2-hydroxy-3-methyloctan-2-yl)oxy-4-oxobutanethioate Traditional Name: 3-hydroxy-4-(1-hydroxy-1,2-dimethyl-heptoxy)-4-keto-thiobutyrate Formula: C13H23O5S- MolecularWeight: 291.38372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(C)(O)OC(=O)C(CC(=S)[O-])O

Isomeric SMILES

CCCCCC(C)C(C)(O)OC(=O)C(CC(=S)[O-])O

InChI

InChI=1S/C13H24O5S/c1-4-5-6-7-9(2)13(3,17)18-12(16)10(14)8-11(15)19/h9-10,14,17H,4-8H2,1-3H3,(H,15,19)/p-1