dimethyl 3,6-bis(1-methylpyridin-1-ium-3-yl)pyrene-1,8-dicarboxylate diiodide

Systemtic Name: dimethyl 3,6-bis(1-methylpyridin-1-ium-3-yl)pyrene-1,8-dicarboxylate diiodide Openeye Name: dimethyl 3,6-bis(1-methylpyridin-1-ium-3-yl)pyrene-1,8-dicarboxylate diiodide CAS Name: 3,6-bis(1-methyl-3-pyridin-1-iumyl)pyrene-1,8-dicarboxylic acid dimethyl ester diiodide IUPAC Name: dimethyl 3,6-bis(1-methylpyridin-1-ium-3-yl)pyrene-1,8-dicarboxylate diiodide Traditional Name: 3,6-bis(1-methylpyridin-1-ium-3-yl)pyrene-1,8-dicarboxylic acid dimethyl ester diiodide Formula: C32H26I2N2O4 MolecularWeight: 756.36878

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=C[N+](=CC=C6)C)C(=O)OC)C(=O)OC.[I-].[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=C[N+](=CC=C6)C)C(=O)OC)C(=O)OC.[I-].[I-]

InChI

InChI=1S/C32H26N2O4.2HI/c1-33-13-5-7-19(17-33)25-15-27(31(35)37-3)23-11-12-24-28(32(36)38-4)16-26(20-8-6-14-34(2)18-20)22-10-9-21(25)29(23)30(22)24;;/h5-18H,1-4H3;2*1H/q+2;;/p-2