2-oxidanyl-4-oxidanylidene-pentane-1,2,3-tricarboxylic acid thiocyanate

Systemtic Name: 2-oxidanyl-4-oxidanylidene-pentane-1,2,3-tricarboxylic acid thiocyanate Openeye Name: 2-hydroxy-4-oxo-pentane-1,2,3-tricarboxylic acid thiocyanate CAS Name: 2-hydroxy-4-oxopentane-1,2,3-tricarboxylic acid thiocyanate IUPAC Name: 2-hydroxy-4-oxopentane-1,2,3-tricarboxylic acid thiocyanate Traditional Name: 2-hydroxy-4-keto-pentane-1,2,3-tricarboxylic acid thiocyanate Formula: C9H10NO8S- MolecularWeight: 292.2426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(#N)[S-]

Isomeric SMILES

CC(=O)C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(#N)[S-]

InChI

InChI=1S/C8H10O8.CHNS/c1-3(9)5(6(12)13)8(16,7(14)15)2-4(10)11;2-1-3/h5,16H,2H2,1H3,(H,10,11)(H,12,13)(H,14,15);3H/p-1