bis(1,2,2,6,6-pentamethylpiperidin-1-ium-4-yl) benzene-1,2-dicarboxylate

Systemtic Name: bis(1,2,2,6,6-pentamethylpiperidin-1-ium-4-yl) benzene-1,2-dicarboxylate Openeye Name: bis(1,2,2,6,6-pentamethylpiperidin-1-ium-4-yl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis(1,2,2,6,6-pentamethyl-4-piperidin-1-iumyl) ester IUPAC Name: bis(1,2,2,6,6-pentamethylpiperidin-1-ium-4-yl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis(1,2,2,6,6-pentamethylpiperidin-1-ium-4-yl) ester Formula: C28H46N2O4+2 MolecularWeight: 474.67584

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH+]1C)(C)C)OC(=O)C2=CC=CC=C2C(=O)OC3CC([NH+](C(C3)(C)C)C)(C)C)C

Isomeric SMILES

CC1(CC(CC([NH+]1C)(C)C)OC(=O)C2=CC=CC=C2C(=O)OC3CC([NH+](C(C3)(C)C)C)(C)C)C

InChI

InChI=1S/C28H44N2O4/c1-25(2)15-19(16-26(3,4)29(25)9)33-23(31)21-13-11-12-14-22(21)24(32)34-20-17-27(5,6)30(10)28(7,8)18-20/h11-14,19-20H,15-18H2,1-10H3/p+2