3-tert-butyl-5-(1-oxidanyl-1-oxidanylidene-5-sulfanyl-pentan-2-yl)sulfanyl-benzoic acid

Systemtic Name: 3-tert-butyl-5-(1-oxidanyl-1-oxidanylidene-5-sulfanyl-pentan-2-yl)sulfanyl-benzoic acid Openeye Name: 3-tert-butyl-5-(1-carboxy-4-sulfanyl-butyl)sulfanyl-benzoic acid CAS Name: 3-tert-butyl-5-[(1-hydroxy-5-mercapto-1-oxopentan-2-yl)thio]benzoic acid IUPAC Name: 3-tert-butyl-5-(1-hydroxy-1-oxo-5-sulfanylpentan-2-yl)sulfanylbenzoic acid Traditional Name: 3-tert-butyl-5-[(1-carboxy-4-mercapto-butyl)thio]benzoic acid Formula: C16H22O4S2 MolecularWeight: 342.47348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)O)SC(CCCS)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)O)SC(CCCS)C(=O)O

InChI

InChI=1S/C16H22O4S2/c1-16(2,3)11-7-10(14(17)18)8-12(9-11)22-13(15(19)20)5-4-6-21/h7-9,13,21H,4-6H2,1-3H3,(H,17,18)(H,19,20)