3-carboxy-3-oxidanyl-5-oxidanylidene-5-(2-oxidanylidenepropylsulfanyloxy)pentanoate; 1H-imidazole

Systemtic Name: 3-carboxy-3-oxidanyl-5-oxidanylidene-5-(2-oxidanylidenepropylsulfanyloxy)pentanoate; 1H-imidazole Openeye Name: 5-acetonylsulfanyloxy-3-carboxy-3-hydroxy-5-oxo-pentanoate; imidazole CAS Name: 3-carboxy-3-hydroxy-5-oxo-5-(2-oxopropylthio)oxypentanoate; 1H-imidazole IUPAC Name: 3-carboxy-3-hydroxy-5-oxo-5-(2-oxopropylsulfanyloxy)pentanoate; 1H-imidazole Traditional Name: 5-(acetonylthio)oxy-3-carboxy-3-hydroxy-5-keto-valerate; glyoxaline Formula: C12H15N2O8S- MolecularWeight: 347.3211

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSOC(=O)CC(CC(=O)[O-])(C(=O)O)O.C1=CN=CN1

Isomeric SMILES

CC(=O)CSOC(=O)CC(CC(=O)[O-])(C(=O)O)O.C1=CN=CN1

InChI

InChI=1S/C9H12O8S.C3H4N2/c1-5(10)4-18-17-7(13)3-9(16,8(14)15)2-6(11)12;1-2-5-3-4-1/h16H,2-4H2,1H3,(H,11,12)(H,14,15);1-3H,(H,4,5)/p-1