5-[2,3-bis(5-carboxyfuran-2-yl)-2-cyano-propyl]furan-2-carboxylic acid

Systemtic Name: 5-[2,3-bis(5-carboxyfuran-2-yl)-2-cyano-propyl]furan-2-carboxylic acid Openeye Name: 5-[2,3-bis(5-carboxy-2-furyl)-2-cyano-propyl]furan-2-carboxylic acid CAS Name: 5-[2,3-bis(5-carboxy-2-furanyl)-2-cyanopropyl]-2-furancarboxylic acid IUPAC Name: 5-[2,3-bis(5-carboxyfuran-2-yl)-2-cyanopropyl]furan-2-carboxylic acid Traditional Name: 5-[2,3-bis(5-carboxy-2-furyl)-2-cyano-propyl]-2-furoic acid Formula: C19H13NO9 MolecularWeight: 399.30782

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)O)CC(CC2=CC=C(O2)C(=O)O)(C#N)C3=CC=C(O3)C(=O)O

Isomeric SMILES

C1=C(OC(=C1)C(=O)O)CC(CC2=CC=C(O2)C(=O)O)(C#N)C3=CC=C(O3)C(=O)O

InChI

InChI=1S/C19H13NO9/c20-9-19(15-6-5-14(29-15)18(25)26,7-10-1-3-12(27-10)16(21)22)8-11-2-4-13(28-11)17(23)24/h1-6H,7-8H2,(H,21,22)(H,23,24)(H,25,26)