2-[1-[(E)-2-[2-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-pyridin-4-yl-2H-isoindol-2-ium-1-yl]ethenyl]-3-pyridin-4-yl-2H-isoindol-2-ium-2-yl]ethanoate

Systemtic Name: 2-[1-[(E)-2-[2-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-pyridin-4-yl-2H-isoindol-2-ium-1-yl]ethenyl]-3-pyridin-4-yl-2H-isoindol-2-ium-2-yl]ethanoate Openeye Name: 2-[1-[(E)-2-[2-(2-oxido-2-oxo-ethyl)-3-(4-pyridyl)-2H-isoindol-2-ium-1-yl]vinyl]-3-(4-pyridyl)-2H-isoindol-2-ium-2-yl]acetate CAS Name: 2-[1-[(E)-2-[2-(2-oxido-2-oxoethyl)-3-pyridin-4-yl-2H-isoindol-2-ium-1-yl]ethenyl]-3-pyridin-4-yl-2H-isoindol-2-ium-2-yl]acetate IUPAC Name: 2-[1-[(E)-2-[2-(2-oxido-2-oxoethyl)-3-pyridin-4-yl-2H-isoindol-2-ium-1-yl]ethenyl]-3-pyridin-4-yl-2H-isoindol-2-ium-2-yl]acetate Traditional Name: 2-[1-[(E)-2-[2-(2-keto-2-oxido-ethyl)-3-(4-pyridyl)-2H-isoindol-2-ium-1-yl]vinyl]-3-(4-pyridyl)-2H-isoindol-2-ium-2-yl]acetate Formula: C32H24N4O4 MolecularWeight: 528.55736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C([NH+](C(=C2C=C1)C3=CC=NC=C3)CC(=O)[O-])C=CC4=C5C=CC=CC5=C([NH+]4CC(=O)[O-])C6=CC=NC=C6

Isomeric SMILES

C1=CC2=C([NH+](C(=C2C=C1)C3=CC=NC=C3)CC(=O)[O-])/C=C/C4=C5C=CC=CC5=C([NH+]4CC(=O)[O-])C6=CC=NC=C6

InChI

InChI=1S/C32H24N4O4/c37-29(38)19-35-27(23-5-1-3-7-25(23)31(35)21-11-15-33-16-12-21)9-10-28-24-6-2-4-8-26(24)32(36(28)20-30(39)40)22-13-17-34-18-14-22/h1-18H,19-20H2,(H,37,38)(H,39,40)/b10-9+