2-oxidanyl-3-thiocyanato-butanedioate

Systemtic Name: 2-oxidanyl-3-thiocyanato-butanedioate Openeye Name: 2-hydroxy-3-thiocyanato-butanedioate CAS Name: 2-hydroxy-3-thiocyanatobutanedioate IUPAC Name: 2-hydroxy-3-thiocyanatobutanedioate Traditional Name: 2-hydroxy-3-thiocyanato-succinate Formula: C5H3NO5S-2 MolecularWeight: 189.14602

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Descriptors Computed from Structure

Canonical SMILES:

C(#N)SC(C(C(=O)[O-])O)C(=O)[O-]

Isomeric SMILES

C(#N)SC(C(C(=O)[O-])O)C(=O)[O-]

InChI

InChI=1S/C5H5NO5S/c6-1-12-3(5(10)11)2(7)4(8)9/h2-3,7H,(H,8,9)(H,10,11)/p-2