4-(2,2-dimethylpropyl)-4-(3-oxidanyl-3-oxidanylidene-1-sulfanyl-propyl)-3,5-bis(sulfanyl)heptanedioic acid

Systemtic Name: 4-(2,2-dimethylpropyl)-4-(3-oxidanyl-3-oxidanylidene-1-sulfanyl-propyl)-3,5-bis(sulfanyl)heptanedioic acid Openeye Name: 4-(2,2-dimethylpropyl)-4-(3-hydroxy-3-oxo-1-sulfanyl-propyl)-3,5-bis(sulfanyl)heptanedioic acid CAS Name: 4-(2,2-dimethylpropyl)-4-(3-hydroxy-1-mercapto-3-oxopropyl)-3,5-dimercaptoheptanedioic acid IUPAC Name: 4-(2,2-dimethylpropyl)-4-(3-hydroxy-3-oxo-1-sulfanylpropyl)-3,5-bis(sulfanyl)heptanedioic acid Traditional Name: 4-(3-hydroxy-3-keto-1-mercapto-propyl)-3,5-dimercapto-4-neopentyl-pimelic acid Formula: C15H26O6S3 MolecularWeight: 398.55834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26O6S3/c1-14(2,3)7-15(8(22)4-11(16)17,9(23)5-12(18)19)10(24)6-13(20)21/h8-10,22-24H,4-7H2,1-3H3,(H,16,17)(H,18,19)(H,20,21)