bis[8,8-bis(iodanyl)octyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate; piperidin-1-ium

Systemtic Name: bis[8,8-bis(iodanyl)octyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate; piperidin-1-ium Openeye Name: bis(8,8-diiodooctyl) 2,4-diphenylcyclobutane-1,3-dicarboxylate; piperidin-1-ium CAS Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis(8,8-diiodooctyl) ester; piperidin-1-ium IUPAC Name: bis(8,8-diiodooctyl) 2,4-diphenylcyclobutane-1,3-dicarboxylate; piperidin-1-ium Traditional Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis(8,8-diiodooctyl) ester; piperidin-1-ium Formula: C44H68I4N2O4+2 MolecularWeight: 1196.6396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]CC1.C1CC[NH2+]CC1.C1=CC=C(C=C1)C2C(C(C2C(=O)OCCCCCCCC(I)I)C3=CC=CC=C3)C(=O)OCCCCCCCC(I)I

Isomeric SMILES

C1CC[NH2+]CC1.C1CC[NH2+]CC1.C1=CC=C(C=C1)C2C(C(C2C(=O)OCCCCCCCC(I)I)C3=CC=CC=C3)C(=O)OCCCCCCCC(I)I

InChI

InChI=1S/C34H44I4O4.2C5H11N/c35-27(36)21-13-3-1-5-15-23-41-33(39)31-29(25-17-9-7-10-18-25)32(30(31)26-19-11-8-12-20-26)34(40)42-24-16-6-2-4-14-22-28(37)38;2*1-2-4-6-5-3-1/h7-12,17-20,27-32H,1-6,13-16,21-24H2;2*6H,1-5H2/p+2