2-diazonio-5-[4-(2,2-dimethylpropanoyloxy)phenoxy]sulfonyl-naphthalen-1-olate

Systemtic Name: 2-diazonio-5-[4-(2,2-dimethylpropanoyloxy)phenoxy]sulfonyl-naphthalen-1-olate Openeye Name: 2-diazonio-5-[4-(2,2-dimethylpropanoyloxy)phenoxy]sulfonyl-naphthalen-1-olate CAS Name: 2-diazonio-5-[4-(2,2-dimethyl-1-oxopropoxy)phenoxy]sulfonyl-1-naphthalenolate IUPAC Name: 2-diazonio-5-[4-(2,2-dimethylpropanoyloxy)phenoxy]sulfonylnaphthalen-1-olate Traditional Name: 2-diazonio-5-(4-pivaloyloxyphenoxy)sulfonyl-naphthalen-1-olate Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N

InChI

InChI=1S/C21H18N2O6S/c1-21(2,3)20(25)28-13-7-9-14(10-8-13)29-30(26,27)18-6-4-5-16-15(18)11-12-17(23-22)19(16)24/h4-12H,1-3H3