2-oxidanyl-3-thiocyanato-butanedioic acid

Systemtic Name: 2-oxidanyl-3-thiocyanato-butanedioic acid Openeye Name: 2-hydroxy-3-thiocyanato-butanedioic acid CAS Name: 2-hydroxy-3-thiocyanatobutanedioic acid IUPAC Name: 2-hydroxy-3-thiocyanatobutanedioic acid Traditional Name: 2-hydroxy-3-thiocyanato-succinic acid Formula: C5H5NO5S MolecularWeight: 191.1619

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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)