2-sulfanyl-2-[2,4,5-tris(1-oxidanyl-1-oxidanylidene-2-sulfanyl-propan-2-yl)phenyl]propanoic acid

Systemtic Name: 2-sulfanyl-2-[2,4,5-tris(1-oxidanyl-1-oxidanylidene-2-sulfanyl-propan-2-yl)phenyl]propanoic acid Openeye Name: 2-sulfanyl-2-[2,4,5-tris(2-hydroxy-1-methyl-2-oxo-1-sulfanyl-ethyl)phenyl]propanoic acid CAS Name: 2-mercapto-2-[2,4,5-tris(1-hydroxy-2-mercapto-1-oxopropan-2-yl)phenyl]propanoic acid IUPAC Name: 2-sulfanyl-2-[2,4,5-tris(1-hydroxy-1-oxo-2-sulfanylpropan-2-yl)phenyl]propanoic acid Traditional Name: 2-mercapto-2-[2,4,5-tris(2-hydroxy-2-keto-1-mercapto-1-methyl-ethyl)phenyl]propionic acid Formula: C18H22O8S4 MolecularWeight: 494.62248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1C(C)(C(=O)O)S)C(C)(C(=O)O)S)C(C)(C(=O)O)S)(C(=O)O)S

Isomeric SMILES

CC(C1=CC(=C(C=C1C(C)(C(=O)O)S)C(C)(C(=O)O)S)C(C)(C(=O)O)S)(C(=O)O)S

InChI

InChI=1S/C18H22O8S4/c1-15(27,11(19)20)7-5-9(17(3,29)13(23)24)10(18(4,30)14(25)26)6-8(7)16(2,28)12(21)22/h5-6,27-30H,1-4H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26)