2-[1,1-bis(carboxymethylsulfanyl)-3,3-bis(hydroxymethyl)-4-oxidanyl-butyl]sulfanylethanoic acid

Systemtic Name: 2-[1,1-bis(carboxymethylsulfanyl)-3,3-bis(hydroxymethyl)-4-oxidanyl-butyl]sulfanylethanoic acid Openeye Name: 2-[1,1-bis(carboxymethylsulfanyl)-4-hydroxy-3,3-bis(hydroxymethyl)butyl]sulfanylacetic acid CAS Name: 2-[[1,1-bis(carboxymethylthio)-4-hydroxy-3,3-bis(hydroxymethyl)butyl]thio]acetic acid IUPAC Name: 2-[1,1-bis(carboxymethylsulfanyl)-4-hydroxy-3,3-bis(hydroxymethyl)butyl]sulfanylacetic acid Traditional Name: 2-[[1,1-bis(carboxymethylthio)-4-hydroxy-3,3-dimethylol-butyl]thio]acetic acid Formula: C12H20O9S3 MolecularWeight: 404.4768

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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)