4,4-bis(3-oxidanyl-3-oxidanylidene-2-sulfanyl-propyl)-2,6-bis(sulfanyl)heptanedioic acid

Systemtic Name: 4,4-bis(3-oxidanyl-3-oxidanylidene-2-sulfanyl-propyl)-2,6-bis(sulfanyl)heptanedioic acid Openeye Name: 4,4-bis(3-hydroxy-3-oxo-2-sulfanyl-propyl)-2,6-bis(sulfanyl)heptanedioic acid CAS Name: 4,4-bis(3-hydroxy-2-mercapto-3-oxopropyl)-2,6-dimercaptoheptanedioic acid IUPAC Name: 4,4-bis(3-hydroxy-3-oxo-2-sulfanylpropyl)-2,6-bis(sulfanyl)heptanedioic acid Traditional Name: 4,4-bis(3-hydroxy-3-keto-2-mercapto-propyl)-2,6-dimercapto-pimelic acid Formula: C13H20O8S4 MolecularWeight: 432.5531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O8S4/c14-9(15)5(22)1-13(2-6(23)10(16)17,3-7(24)11(18)19)4-8(25)12(20)21/h5-8,22-25H,1-4H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)