6-cyano-7,7-bis(oxidanyl)-5-oxidanylidene-hept-6-enoic acid; ethanol

Systemtic Name: 6-cyano-7,7-bis(oxidanyl)-5-oxidanylidene-hept-6-enoic acid; ethanol Openeye Name: 6-cyano-7,7-dihydroxy-5-oxo-hept-6-enoic acid; ethanol CAS Name: 6-cyano-7,7-dihydroxy-5-oxo-6-heptenoic acid; ethanol IUPAC Name: 6-cyano-7,7-dihydroxy-5-oxohept-6-enoic acid; ethanol Traditional Name: 6-cyano-7,7-dihydroxy-5-keto-hept-6-enoic acid; ethanol Formula: C10H15NO6 MolecularWeight: 245.2292

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C(CC(=O)C(=C(O)O)C#N)CC(=O)O

Isomeric SMILES

CCO.C(CC(=O)C(=C(O)O)C#N)CC(=O)O

InChI

InChI=1S/C8H9NO5.C2H6O/c9-4-5(8(13)14)6(10)2-1-3-7(11)12;1-2-3/h13-14H,1-3H2,(H,11,12);3H,2H2,1H3