1H-imidazole; (E)-4-oxidanylidene-4-(2-oxidanylidenepropylsulfanyloxy)but-2-enoic acid

Systemtic Name: 1H-imidazole; (E)-4-oxidanylidene-4-(2-oxidanylidenepropylsulfanyloxy)but-2-enoic acid Openeye Name: (E)-4-acetonylsulfanyloxy-4-oxo-but-2-enoic acid; imidazole CAS Name: 1H-imidazole; (E)-4-oxo-4-(2-oxopropylthio)oxy-2-butenoic acid IUPAC Name: 1H-imidazole; (E)-4-oxo-4-(2-oxopropylsulfanyloxy)but-2-enoic acid Traditional Name: (E)-4-(acetonylthio)oxy-4-keto-but-2-enoic acid; glyoxaline Formula: C10H12N2O5S MolecularWeight: 272.27768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSOC(=O)C=CC(=O)O.C1=CN=CN1

Isomeric SMILES

CC(=O)CSOC(=O)/C=C/C(=O)O.C1=CN=CN1

InChI

InChI=1S/C7H8O5S.C3H4N2/c1-5(8)4-13-12-7(11)3-2-6(9)10;1-2-5-3-4-1/h2-3H,4H2,1H3,(H,9,10);1-3H,(H,4,5)/b3-2+;