2-[[3-tert-butyl-4-oxidanyl-5-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 2-[[3-tert-butyl-4-oxidanyl-5-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-[[3-tert-butyl-4-hydroxy-5-[(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]phenyl]methylsulfanyl]propanoic acid CAS Name: 2-[[3-tert-butyl-4-hydroxy-5-[[(1-hydroxy-1-oxopropan-2-yl)thio]methyl]phenyl]methylthio]propanoic acid IUPAC Name: 2-[[3-tert-butyl-4-hydroxy-5-[(1-hydroxy-1-oxopropan-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]propanoic acid Traditional Name: 2-[[3-tert-butyl-4-hydroxy-5-[[(2-hydroxy-2-keto-1-methyl-ethyl)thio]methyl]benzyl]thio]propionic acid Formula: C18H26O5S2 MolecularWeight: 386.52604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC(=C(C(=C1)C(C)(C)C)O)CSC(C)C(=O)O

Isomeric SMILES

CC(C(=O)O)SCC1=CC(=C(C(=C1)C(C)(C)C)O)CSC(C)C(=O)O

InChI

InChI=1S/C18H26O5S2/c1-10(16(20)21)24-8-12-6-13(9-25-11(2)17(22)23)15(19)14(7-12)18(3,4)5/h6-7,10-11,19H,8-9H2,1-5H3,(H,20,21)(H,22,23)