(E,6S)-8-oxidanyl-6-[(3-oxidanylidenecyclohexen-1-yl)amino]oct-2-enal

Systemtic Name: (E,6S)-8-oxidanyl-6-[(3-oxidanylidenecyclohexen-1-yl)amino]oct-2-enal Openeye Name: (E,6S)-8-hydroxy-6-[(3-oxocyclohexen-1-yl)amino]oct-2-enal CAS Name: (E,6S)-8-hydroxy-6-[(3-oxo-1-cyclohexenyl)amino]-2-octenal IUPAC Name: (E,6S)-8-hydroxy-6-[(3-oxocyclohexen-1-yl)amino]oct-2-enal Traditional Name: (E,6S)-8-hydroxy-6-[(3-ketocyclohexen-1-yl)amino]oct-2-enal Formula: C14H21NO3 MolecularWeight: 251.32144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)NC(CCC=CC=O)CCO

Isomeric SMILES

C1CC(=CC(=O)C1)N[C@@H](CC/C=C/C=O)CCO

InChI

InChI=1S/C14H21NO3/c16-9-3-1-2-5-12(8-10-17)15-13-6-4-7-14(18)11-13/h1,3,9,11-12,15,17H,2,4-8,10H2/b3-1+/t12-/m0/s1