5-methyl-3-oxidanylidene-cyclohexen-1-olate; (2-nitrophenyl)iodanium

Systemtic Name: 5-methyl-3-oxidanylidene-cyclohexen-1-olate; (2-nitrophenyl)iodanium Openeye Name: 5-methyl-3-oxo-cyclohexen-1-olate; (2-nitrophenyl)iodonium CAS Name: 5-methyl-3-oxo-1-cyclohexenolate; (2-nitrophenyl)iodonium IUPAC Name: 5-methyl-3-oxocyclohexen-1-olate; (2-nitrophenyl)iodanium Traditional Name: 3-keto-5-methyl-cyclohexen-1-olate; (2-nitrophenyl)iodonium Formula: C13H14INO4 MolecularWeight: 375.15903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1)[O-].C1=CC=C(C(=C1)[N+](=O)[O-])[IH+]

Isomeric SMILES

CC1CC(=CC(=O)C1)[O-].C1=CC=C(C(=C1)[N+](=O)[O-])[IH+]

InChI

InChI=1S/C7H10O2.C6H5INO2/c1-5-2-6(8)4-7(9)3-5;7-5-3-1-2-4-6(5)8(9)10/h4-5,8H,2-3H2,1H3;1-4,7H/q;+1/p-1