4-ethyl-4-(3-oxidanyl-3-oxidanylidene-1-sulfanyl-propyl)-3,5-bis(sulfanyl)heptanedioic acid

Systemtic Name: 4-ethyl-4-(3-oxidanyl-3-oxidanylidene-1-sulfanyl-propyl)-3,5-bis(sulfanyl)heptanedioic acid Openeye Name: 4-ethyl-4-(3-hydroxy-3-oxo-1-sulfanyl-propyl)-3,5-bis(sulfanyl)heptanedioic acid CAS Name: 4-ethyl-4-(3-hydroxy-1-mercapto-3-oxopropyl)-3,5-dimercaptoheptanedioic acid IUPAC Name: 4-ethyl-4-(3-hydroxy-3-oxo-1-sulfanylpropyl)-3,5-bis(sulfanyl)heptanedioic acid Traditional Name: 4-ethyl-4-(3-hydroxy-3-keto-1-mercapto-propyl)-3,5-dimercapto-pimelic acid Formula: C12H20O6S3 MolecularWeight: 356.4786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(=O)O)S)(C(CC(=O)O)S)C(CC(=O)O)S

Isomeric SMILES

CCC(C(CC(=O)O)S)(C(CC(=O)O)S)C(CC(=O)O)S

InChI

InChI=1S/C12H20O6S3/c1-2-12(6(19)3-9(13)14,7(20)4-10(15)16)8(21)5-11(17)18/h6-8,19-21H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)