(1Z)-2-diazonio-1-(2,6-ditert-butyl-4-methyl-phenoxy)-3-oxidanylidene-hepta-1,6-dien-1-olate

Systemtic Name: (1Z)-2-diazonio-1-(2,6-ditert-butyl-4-methyl-phenoxy)-3-oxidanylidene-hepta-1,6-dien-1-olate Openeye Name: (1Z)-2-diazonio-1-(2,6-ditert-butyl-4-methyl-phenoxy)-3-oxo-hepta-1,6-dien-1-olate CAS Name: (1Z)-2-diazonio-1-(2,6-ditert-butyl-4-methylphenoxy)-3-oxo-1-hepta-1,6-dienolate IUPAC Name: (1Z)-2-diazonio-1-(2,6-ditert-butyl-4-methylphenoxy)-3-oxohepta-1,6-dien-1-olate Traditional Name: (1Z)-2-diazonio-1-(2,6-ditert-butyl-4-methyl-phenoxy)-3-keto-hepta-1,6-dien-1-olate Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)OC(=C(C(=O)CCC=C)[N+]#N)[O-])C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)O/C(=C(/C(=O)CCC=C)\[N+]#N)/[O-])C(C)(C)C

InChI

InChI=1S/C22H30N2O3/c1-9-10-11-17(25)18(24-23)20(26)27-19-15(21(3,4)5)12-14(2)13-16(19)22(6,7)8/h9,12-13H,1,10-11H2,2-8H3