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

Systemtic Name: 4-(3-oxidanyl-3-oxidanylidene-1-sulfanyl-propyl)-4-(3-oxidanylpropyl)-3,5-bis(sulfanyl)heptanedioic acid Openeye Name: 4-(3-hydroxy-3-oxo-1-sulfanyl-propyl)-4-(3-hydroxypropyl)-3,5-bis(sulfanyl)heptanedioic acid CAS Name: 4-(3-hydroxy-1-mercapto-3-oxopropyl)-4-(3-hydroxypropyl)-3,5-dimercaptoheptanedioic acid IUPAC Name: 4-(3-hydroxy-3-oxo-1-sulfanylpropyl)-4-(3-hydroxypropyl)-3,5-bis(sulfanyl)heptanedioic acid Traditional Name: 4-(3-hydroxy-3-keto-1-mercapto-propyl)-4-(3-hydroxypropyl)-3,5-dimercapto-pimelic acid Formula: C13H22O7S3 MolecularWeight: 386.50458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O7S3/c14-3-1-2-13(7(21)4-10(15)16,8(22)5-11(17)18)9(23)6-12(19)20/h7-9,14,21-23H,1-6H2,(H,15,16)(H,17,18)(H,19,20)