4,4-bis(hydroxymethyl)-3-methyl-5-oxidanyl-2-sulfanyl-pentanoic acid

Systemtic Name: 4,4-bis(hydroxymethyl)-3-methyl-5-oxidanyl-2-sulfanyl-pentanoic acid Openeye Name: 5-hydroxy-4,4-bis(hydroxymethyl)-3-methyl-2-sulfanyl-pentanoic acid CAS Name: 5-hydroxy-4,4-bis(hydroxymethyl)-2-mercapto-3-methylpentanoic acid IUPAC Name: 5-hydroxy-4,4-bis(hydroxymethyl)-3-methyl-2-sulfanylpentanoic acid Traditional Name: 5-hydroxy-2-mercapto-3-methyl-4,4-dimethylol-valeric acid Formula: C8H16O5S MolecularWeight: 224.27464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)S)C(CO)(CO)CO

Isomeric SMILES

CC(C(C(=O)O)S)C(CO)(CO)CO

InChI

InChI=1S/C8H16O5S/c1-5(6(14)7(12)13)8(2-9,3-10)4-11/h5-6,9-11,14H,2-4H2,1H3,(H,12,13)