5-[2,6-dicyano-3,4-bis(oxidanyl)phenyl]pentanoic acid

Systemtic Name: 5-[2,6-dicyano-3,4-bis(oxidanyl)phenyl]pentanoic acid Openeye Name: 5-(2,6-dicyano-3,4-dihydroxy-phenyl)pentanoic acid CAS Name: 5-(2,6-dicyano-3,4-dihydroxyphenyl)pentanoic acid IUPAC Name: 5-(2,6-dicyano-3,4-dihydroxyphenyl)pentanoic acid Traditional Name: 5-(2,6-dicyano-3,4-dihydroxy-phenyl)valeric acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1O)O)C#N)CCCCC(=O)O)C#N

Isomeric SMILES

C1=C(C(=C(C(=C1O)O)C#N)CCCCC(=O)O)C#N

InChI

InChI=1S/C13H12N2O4/c14-6-8-5-11(16)13(19)10(7-15)9(8)3-1-2-4-12(17)18/h5,16,19H,1-4H2,(H,17,18)