tetrakis[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]azanium iodide

Systemtic Name: tetrakis[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]azanium iodide Openeye Name: tetrakis[3-(1,3-dioxoisoindolin-2-yl)propyl]ammonium iodide CAS Name: tetrakis[3-(1,3-dioxo-2-isoindolyl)propyl]ammonium iodide IUPAC Name: tetrakis[3-(1,3-dioxoisoindol-2-yl)propyl]azanium iodide Traditional Name: tetrakis(3-phthalimidopropyl)ammonium iodide Formula: C44H40IN5O8 MolecularWeight: 893.72157

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC[N+](CCCN3C(=O)C4=CC=CC=C4C3=O)(CCCN5C(=O)C6=CC=CC=C6C5=O)CCCN7C(=O)C8=CC=CC=C8C7=O.[I-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC[N+](CCCN3C(=O)C4=CC=CC=C4C3=O)(CCCN5C(=O)C6=CC=CC=C6C5=O)CCCN7C(=O)C8=CC=CC=C8C7=O.[I-]

InChI

InChI=1S/C44H40N5O8.HI/c50-37-29-13-1-2-14-30(29)38(51)45(37)21-9-25-49(26-10-22-46-39(52)31-15-3-4-16-32(31)40(46)53,27-11-23-47-41(54)33-17-5-6-18-34(33)42(47)55)28-12-24-48-43(56)35-19-7-8-20-36(35)44(48)57;/h1-8,13-20H,9-12,21-28H2;1H/q+1;/p-1