(1Z,3S,5E)-3-cyano-1-diazonio-6-iodanyl-3-(2-oxidanylidenepropyl)hexa-1,5-dien-2-olate

Systemtic Name: (1Z,3S,5E)-3-cyano-1-diazonio-6-iodanyl-3-(2-oxidanylidenepropyl)hexa-1,5-dien-2-olate Openeye Name: (1Z,3S,5E)-3-acetonyl-3-cyano-1-diazonio-6-iodo-hexa-1,5-dien-2-olate CAS Name: (1Z,3S,5E)-3-cyano-1-diazonio-6-iodo-3-(2-oxopropyl)-2-hexa-1,5-dienolate IUPAC Name: (1Z,3S,5E)-3-cyano-1-diazonio-6-iodo-3-(2-oxopropyl)hexa-1,5-dien-2-olate Traditional Name: (1Z,3S,5E)-3-acetonyl-3-cyano-1-diazonio-6-iodo-hexa-1,5-dien-2-olate Formula: C10H10IN3O2 MolecularWeight: 331.10977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CC=CI)(C#N)C(=C[N+]#N)[O-]

Isomeric SMILES

CC(=O)C[C@@](C/C=C/I)(C#N)/C(=C/[N+]#N)/[O-]

InChI

InChI=1S/C10H10IN3O2/c1-8(15)5-10(7-12,3-2-4-11)9(16)6-14-13/h2,4,6H,3,5H2,1H3/b4-2+,9-6-/t10-/m0/s1