1-butyl-3-cyano-4,5-bis(oxidanyl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1-butyl-3-cyano-4,5-bis(oxidanyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-butyl-3-cyano-4,5-dihydroxy-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-butyl-3-cyano-4,5-dihydroxy-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-butyl-3-cyano-4,5-dihydroxycyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-butyl-3-cyano-4,5-dihydroxy-cyclohexa-2,4-diene-1-carboxylic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(=C(C(=C1)C#N)O)O)C(=O)O

Isomeric SMILES

CCCCC1(CC(=C(C(=C1)C#N)O)O)C(=O)O

InChI

InChI=1S/C12H15NO4/c1-2-3-4-12(11(16)17)5-8(7-13)10(15)9(14)6-12/h5,14-15H,2-4,6H2,1H3,(H,16,17)