(1Z,3E)-5-(1-adamantyl)-4-diazonio-3-oxidanyl-5-oxidanylidene-1-phenyl-penta-1,3-dien-1-olate

Systemtic Name: (1Z,3E)-5-(1-adamantyl)-4-diazonio-3-oxidanyl-5-oxidanylidene-1-phenyl-penta-1,3-dien-1-olate Openeye Name: (1Z,3E)-5-(1-adamantyl)-4-diazonio-3-hydroxy-5-oxo-1-phenyl-penta-1,3-dien-1-olate CAS Name: (1Z,3E)-5-(1-adamantyl)-4-diazonio-3-hydroxy-5-oxo-1-phenyl-1-penta-1,3-dienolate IUPAC Name: (1Z,3E)-5-(1-adamantyl)-4-diazonio-3-hydroxy-5-oxo-1-phenylpenta-1,3-dien-1-olate Traditional Name: (1Z,3E)-5-(1-adamantyl)-4-diazonio-3-hydroxy-5-keto-1-phenyl-penta-1,3-dien-1-olate Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C(=C(C=C(C4=CC=CC=C4)[O-])O)[N+]#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)/C(=C(/C=C(/C4=CC=CC=C4)\[O-])\O)/[N+]#N

InChI

InChI=1S/C21H22N2O3/c22-23-19(18(25)9-17(24)16-4-2-1-3-5-16)20(26)21-10-13-6-14(11-21)8-15(7-13)12-21/h1-5,9,13-15H,6-8,10-12H2,(H-,24,25,26)