3-[5-carboxylato-3-cyano-4-(2-oxidanidyl-2-oxidanylidene-ethyl)thiophen-2-yl]pentanedioate

Systemtic Name: 3-[5-carboxylato-3-cyano-4-(2-oxidanidyl-2-oxidanylidene-ethyl)thiophen-2-yl]pentanedioate Openeye Name: 3-[5-carboxylato-3-cyano-4-(2-oxido-2-oxo-ethyl)-2-thienyl]pentanedioate CAS Name: 3-[5-carboxylato-3-cyano-4-(2-oxido-2-oxoethyl)-2-thiophenyl]pentanedioate IUPAC Name: 3-[5-carboxylato-3-cyano-4-(2-oxido-2-oxoethyl)thiophen-2-yl]pentanedioate Traditional Name: 3-[5-carboxylato-3-cyano-4-(2-keto-2-oxido-ethyl)-2-thienyl]glutarate Formula: C13H7NO8S-4 MolecularWeight: 337.26158

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(SC(=C1C#N)C(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C(C1=C(SC(=C1C#N)C(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H11NO8S/c14-4-7-6(3-10(19)20)12(13(21)22)23-11(7)5(1-8(15)16)2-9(17)18/h5H,1-3H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/p-4