6,7-bis(chloranyl)-9,10-bis(oxidanylidene)anthracene-1-diazonium sulfate

Systemtic Name: 6,7-bis(chloranyl)-9,10-bis(oxidanylidene)anthracene-1-diazonium sulfate Openeye Name: 6,7-dichloro-9,10-dioxo-anthracene-1-diazonium sulfate CAS Name: 6,7-dichloro-9,10-dioxo-1-anthracenediazonium sulfate IUPAC Name: 6,7-dichloro-9,10-dioxoanthracene-1-diazonium sulfate Traditional Name: 6,7-dichloro-9,10-diketo-anthracene-1-diazonium sulfate Formula: C28H10Cl4N4O8S MolecularWeight: 704.278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+]#N)C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl.C1=CC2=C(C(=C1)[N+]#N)C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[N+]#N)C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl.C1=CC2=C(C(=C1)[N+]#N)C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C14H5Cl2N2O2.H2O4S/c2*15-9-4-7-8(5-10(9)16)14(20)12-6(13(7)19)2-1-3-11(12)18-17;1-5(2,3)4/h2*1-5H;(H2,1,2,3,4)/q2*+1;/p-2