4-(3-methyl-2-oxidanyl-octan-2-yl)oxy-3-oxidanyl-4-oxidanylidene-butanethioic S-acid

Systemtic Name: 4-(3-methyl-2-oxidanyl-octan-2-yl)oxy-3-oxidanyl-4-oxidanylidene-butanethioic S-acid Openeye Name: 3-hydroxy-4-(1-hydroxy-1,2-dimethyl-heptoxy)-4-oxo-butanethioic S-acid CAS Name: 3-hydroxy-4-(2-hydroxy-3-methyloctan-2-yl)oxy-4-oxobutanethioic S-acid IUPAC Name: 3-hydroxy-4-(2-hydroxy-3-methyloctan-2-yl)oxy-4-oxobutanethioic S-acid Traditional Name: 3-hydroxy-4-(1-hydroxy-1,2-dimethyl-heptoxy)-4-keto-thiobutyric acid Formula: C13H24O5S MolecularWeight: 292.39166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(C)(O)OC(=O)C(CC(=O)S)O

Isomeric SMILES

CCCCCC(C)C(C)(O)OC(=O)C(CC(=O)S)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)