3-[5-carboxy-4-(carboxymethyl)-3-cyano-thiophen-2-yl]pentanedioic acid

Systemtic Name: 3-[5-carboxy-4-(carboxymethyl)-3-cyano-thiophen-2-yl]pentanedioic acid Openeye Name: 3-[5-carboxy-4-(carboxymethyl)-3-cyano-2-thienyl]pentanedioic acid CAS Name: 3-[5-carboxy-4-(carboxymethyl)-3-cyano-2-thiophenyl]pentanedioic acid IUPAC Name: 3-[5-carboxy-4-(carboxymethyl)-3-cyanothiophen-2-yl]pentanedioic acid Traditional Name: 3-[5-carboxy-4-(carboxymethyl)-3-cyano-2-thienyl]glutaric acid Formula: C13H11NO8S MolecularWeight: 341.29334

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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)