(Z)-1-diazonio-4-[4,5,7-trimethoxy-9,10-bis(oxidanylidene)anthracen-2-yl]but-1-en-2-olate

Systemtic Name: (Z)-1-diazonio-4-[4,5,7-trimethoxy-9,10-bis(oxidanylidene)anthracen-2-yl]but-1-en-2-olate Openeye Name: (Z)-1-diazonio-4-(4,5,7-trimethoxy-9,10-dioxo-2-anthryl)but-1-en-2-olate CAS Name: (Z)-1-diazonio-4-(4,5,7-trimethoxy-9,10-dioxo-2-anthracenyl)-1-buten-2-olate IUPAC Name: (Z)-1-diazonio-4-(4,5,7-trimethoxy-9,10-dioxoanthracen-2-yl)but-1-en-2-olate Traditional Name: (Z)-1-diazonio-4-(9,10-diketo-4,5,7-trimethoxy-2-anthryl)but-1-en-2-olate Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)OC)CCC(=C[N+]#N)[O-])OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)OC)CC/C(=C/[N+]#N)/[O-])OC

InChI

InChI=1S/C21H18N2O6/c1-27-13-8-15-19(17(9-13)29-3)21(26)18-14(20(15)25)6-11(7-16(18)28-2)4-5-12(24)10-23-22/h6-10H,4-5H2,1-3H3/b12-10-