(E)-2-(3,4-diphenylisoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-bis(oxidanylidene)but-1-en-1-olate

Systemtic Name: (E)-2-(3,4-diphenylisoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-bis(oxidanylidene)but-1-en-1-olate Openeye Name: (E)-2-(3,4-diphenylisoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-dioxo-but-1-en-1-olate CAS Name: (E)-2-(3,4-diphenyl-2-isoquinolin-2-iumyl)-1,4-dimethoxy-3,4-dioxo-1-buten-1-olate IUPAC Name: (E)-2-(3,4-diphenylisoquinolin-2-ium-2-yl)-1,4-dimethoxy-3,4-dioxobut-1-en-1-olate Traditional Name: (E)-2-(3,4-diphenylisoquinolin-2-ium-2-yl)-3,4-diketo-1,4-dimethoxy-but-1-en-1-olate Formula: C27H21NO5 MolecularWeight: 439.45934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C(=O)C(=O)OC)[N+]1=CC2=CC=CC=C2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)[O-]

Isomeric SMILES

CO/C(=C(\C(=O)C(=O)OC)/[N+]1=CC2=CC=CC=C2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)/[O-]

InChI

InChI=1S/C27H21NO5/c1-32-26(30)24(25(29)27(31)33-2)28-17-20-15-9-10-16-21(20)22(18-11-5-3-6-12-18)23(28)19-13-7-4-8-14-19/h3-17H,1-2H3