(3,4-dimethyl-2-nitro-phenyl)iodanium; 2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-olate

Systemtic Name: (3,4-dimethyl-2-nitro-phenyl)iodanium; 2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-olate Openeye Name: (3,4-dimethyl-2-nitro-phenyl)iodonium; 2,2-dimethyl-6-oxo-1,3-dioxin-4-olate CAS Name: (3,4-dimethyl-2-nitrophenyl)iodonium; 2,2-dimethyl-6-oxo-1,3-dioxin-4-olate IUPAC Name: (3,4-dimethyl-2-nitrophenyl)iodanium; 2,2-dimethyl-6-oxo-1,3-dioxin-4-olate Traditional Name: (3,4-dimethyl-2-nitro-phenyl)iodonium; 6-keto-2,2-dimethyl-1,3-dioxin-4-olate Formula: C14H16INO6 MolecularWeight: 421.18441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[IH+])[N+](=O)[O-])C.CC1(OC(=CC(=O)O1)[O-])C

Isomeric SMILES

CC1=C(C(=C(C=C1)[IH+])[N+](=O)[O-])C.CC1(OC(=CC(=O)O1)[O-])C

InChI

InChI=1S/C8H9INO2.C6H8O4/c1-5-3-4-7(9)8(6(5)2)10(11)12;1-6(2)9-4(7)3-5(8)10-6/h3-4,9H,1-2H3;3,7H,1-2H3/q+1;/p-1