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

Systemtic Name: 5-chloranyl-9,10-bis(oxidanylidene)anthracene-1-diazonium sulfate Openeye Name: 5-chloro-9,10-dioxo-anthracene-1-diazonium sulfate CAS Name: 5-chloro-9,10-dioxo-1-anthracenediazonium sulfate IUPAC Name: 5-chloro-9,10-dioxoanthracene-1-diazonium sulfate Traditional Name: 5-chloro-9,10-diketo-anthracene-1-diazonium sulfate Formula: C28H12Cl2N4O8S MolecularWeight: 635.38788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+]#N)C(=O)C3=C(C2=O)C(=CC=C3)Cl.C1=CC2=C(C(=C1)[N+]#N)C(=O)C3=C(C2=O)C(=CC=C3)Cl.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[N+]#N)C(=O)C3=C(C2=O)C(=CC=C3)Cl.C1=CC2=C(C(=C1)[N+]#N)C(=O)C3=C(C2=O)C(=CC=C3)Cl.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C14H6ClN2O2.H2O4S/c2*15-9-5-1-3-7-11(9)13(18)8-4-2-6-10(17-16)12(8)14(7)19;1-5(2,3)4/h2*1-6H;(H2,1,2,3,4)/q2*+1;/p-2