3,3-bis(hydroxymethyl)-2-methyl-6-oxidanyl-2-sulfanyl-hexanoate

Systemtic Name: 3,3-bis(hydroxymethyl)-2-methyl-6-oxidanyl-2-sulfanyl-hexanoate Openeye Name: 6-hydroxy-3,3-bis(hydroxymethyl)-2-methyl-2-sulfanyl-hexanoate CAS Name: 6-hydroxy-3,3-bis(hydroxymethyl)-2-mercapto-2-methylhexanoate IUPAC Name: 6-hydroxy-3,3-bis(hydroxymethyl)-2-methyl-2-sulfanylhexanoate Traditional Name: 6-hydroxy-2-mercapto-2-methyl-3,3-dimethylol-hexanoate Formula: C9H17O5S- MolecularWeight: 237.29328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])(C(CCCO)(CO)CO)S

Isomeric SMILES

CC(C(=O)[O-])(C(CCCO)(CO)CO)S

InChI

InChI=1S/C9H18O5S/c1-8(15,7(13)14)9(5-11,6-12)3-2-4-10/h10-12,15H,2-6H2,1H3,(H,13,14)/p-1