2,2-dimethyl-3H-1-benzofuran-7-diazonium sulfate

Systemtic Name: 2,2-dimethyl-3H-1-benzofuran-7-diazonium sulfate Openeye Name: 2,2-dimethyl-3H-benzofuran-7-diazonium sulfate CAS Name: 2,2-dimethyl-3H-benzofuran-7-diazonium sulfate IUPAC Name: 2,2-dimethyl-3H-1-benzofuran-7-diazonium sulfate Traditional Name: 2,2-dimethylcoumaran-7-diazonium sulfate Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)[N+]#N)C.CC1(CC2=C(O1)C(=CC=C2)[N+]#N)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)[N+]#N)C.CC1(CC2=C(O1)C(=CC=C2)[N+]#N)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C10H11N2O.H2O4S/c2*1-10(2)6-7-4-3-5-8(12-11)9(7)13-10;1-5(2,3)4/h2*3-5H,6H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2