2,5-bis(3,5-dimethylpyridin-1-ium-1-yl)-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1,4-diolate

Systemtic Name: 2,5-bis(3,5-dimethylpyridin-1-ium-1-yl)-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1,4-diolate Openeye Name: 2,5-bis(3,5-dimethylpyridin-1-ium-1-yl)-3,6-dioxo-cyclohexa-1,4-diene-1,4-diolate CAS Name: 2,5-bis(3,5-dimethyl-1-pyridin-1-iumyl)-3,6-dioxocyclohexa-1,4-diene-1,4-diolate IUPAC Name: 2,5-bis(3,5-dimethylpyridin-1-ium-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diolate Traditional Name: 2,5-bis(3,5-dimethylpyridin-1-ium-1-yl)-3,6-diketo-cyclohexa-1,4-diene-1,4-diolate Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=C(C(=O)C(=C(C2=O)[O-])[N+]3=CC(=CC(=C3)C)C)[O-])C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=C(C(=O)C(=C(C2=O)[O-])[N+]3=CC(=CC(=C3)C)C)[O-])C

InChI

InChI=1S/C20H18N2O4/c1-11-5-12(2)8-21(7-11)15-17(23)19(25)16(20(26)18(15)24)22-9-13(3)6-14(4)10-22/h5-10H,1-4H3