2-[1,1-bis(carboxymethylsulfanyl)-2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]sulfanylethanoic acid

Systemtic Name: 2-[1,1-bis(carboxymethylsulfanyl)-2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]sulfanylethanoic acid Openeye Name: 2-[1,1-bis(carboxymethylsulfanyl)-3-hydroxy-2,2-bis(hydroxymethyl)propyl]sulfanylacetic acid CAS Name: 2-[[1,1-bis(carboxymethylthio)-3-hydroxy-2,2-bis(hydroxymethyl)propyl]thio]acetic acid IUPAC Name: 2-[1,1-bis(carboxymethylsulfanyl)-3-hydroxy-2,2-bis(hydroxymethyl)propyl]sulfanylacetic acid Traditional Name: 2-[[1,1-bis(carboxymethylthio)-3-hydroxy-2,2-dimethylol-propyl]thio]acetic acid Formula: C11H18O9S3 MolecularWeight: 390.45022

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)O)SC(C(CO)(CO)CO)(SCC(=O)O)SCC(=O)O

Isomeric SMILES

C(C(=O)O)SC(C(CO)(CO)CO)(SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C11H18O9S3/c12-4-10(5-13,6-14)11(21-1-7(15)16,22-2-8(17)18)23-3-9(19)20/h12-14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)