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

Systemtic Name: 2-[bis(3-sulfanylpropanoyloxy)methyl]-4,4-bis(hydroxymethyl)-5-oxidanyl-2-sulfanyl-pentanoic acid Openeye Name: 2-[bis(3-sulfanylpropanoyloxy)methyl]-5-hydroxy-4,4-bis(hydroxymethyl)-2-sulfanyl-pentanoic acid CAS Name: 2-[bis(3-mercapto-1-oxopropoxy)methyl]-5-hydroxy-4,4-bis(hydroxymethyl)-2-mercaptopentanoic acid IUPAC Name: 2-[bis(3-sulfanylpropanoyloxy)methyl]-5-hydroxy-4,4-bis(hydroxymethyl)-2-sulfanylpentanoic acid Traditional Name: 2-[bis(3-mercaptopropanoyloxy)methyl]-5-hydroxy-2-mercapto-4,4-dimethylol-valeric acid Formula: C14H24O9S3 MolecularWeight: 432.52996

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Descriptors Computed from Structure

Canonical SMILES:

C(CS)C(=O)OC(C(CC(CO)(CO)CO)(C(=O)O)S)OC(=O)CCS

Isomeric SMILES

C(CS)C(=O)OC(C(CC(CO)(CO)CO)(C(=O)O)S)OC(=O)CCS

InChI

InChI=1S/C14H24O9S3/c15-6-13(7-16,8-17)5-14(26,11(20)21)12(22-9(18)1-3-24)23-10(19)2-4-25/h12,15-17,24-26H,1-8H2,(H,20,21)