(E)-3-(1H-imidazol-2-ylsulfanyl)-2-oxidanyl-5-oxidanylidene-hex-2-enedioic acid

Systemtic Name: (E)-3-(1H-imidazol-2-ylsulfanyl)-2-oxidanyl-5-oxidanylidene-hex-2-enedioic acid Openeye Name: (E)-2-hydroxy-3-(1H-imidazol-2-ylsulfanyl)-5-oxo-hex-2-enedioic acid CAS Name: (E)-2-hydroxy-3-(1H-imidazol-2-ylthio)-5-oxo-2-hexenedioic acid IUPAC Name: (E)-2-hydroxy-3-(1H-imidazol-2-ylsulfanyl)-5-oxohex-2-enedioic acid Traditional Name: (E)-2-hydroxy-3-(1H-imidazol-2-ylthio)-5-keto-hex-2-enedioic acid Formula: C9H8N2O6S MolecularWeight: 272.23462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N1)SC(=C(C(=O)O)O)CC(=O)C(=O)O

Isomeric SMILES

C1=CN=C(N1)S/C(=C(\C(=O)O)/O)/CC(=O)C(=O)O

InChI

InChI=1S/C9H8N2O6S/c12-4(7(14)15)3-5(6(13)8(16)17)18-9-10-1-2-11-9/h1-2,13H,3H2,(H,10,11)(H,14,15)(H,16,17)/b6-5+