2-[3,3-bis(hydroxymethyl)-1,1-bis[(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl]-4-oxidanyl-butyl]sulfanylethanoate

Systemtic Name: 2-[3,3-bis(hydroxymethyl)-1,1-bis[(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl]-4-oxidanyl-butyl]sulfanylethanoate Openeye Name: 2-[4-hydroxy-3,3-bis(hydroxymethyl)-1,1-bis[(2-oxido-2-oxo-ethyl)sulfanyl]butyl]sulfanylacetate CAS Name: 2-[[4-hydroxy-3,3-bis(hydroxymethyl)-1,1-bis[(2-oxido-2-oxoethyl)thio]butyl]thio]acetate IUPAC Name: 2-[4-hydroxy-3,3-bis(hydroxymethyl)-1,1-bis[(2-oxido-2-oxoethyl)sulfanyl]butyl]sulfanylacetate Traditional Name: 2-[[4-hydroxy-1,1-bis[(2-keto-2-oxido-ethyl)thio]-3,3-dimethylol-butyl]thio]acetate Formula: C12H17O9S3-3 MolecularWeight: 401.45298

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])SC(CC(CO)(CO)CO)(SCC(=O)[O-])SCC(=O)[O-]

Isomeric SMILES

C(C(=O)[O-])SC(CC(CO)(CO)CO)(SCC(=O)[O-])SCC(=O)[O-]

InChI

InChI=1S/C12H20O9S3/c13-5-11(6-14,7-15)4-12(22-1-8(16)17,23-2-9(18)19)24-3-10(20)21/h13-15H,1-7H2,(H,16,17)(H,18,19)(H,20,21)/p-3