bis(1-decylpyridin-1-ium-3-yl) benzene-1,4-dicarboxylate

Systemtic Name: bis(1-decylpyridin-1-ium-3-yl) benzene-1,4-dicarboxylate Openeye Name: bis(1-decylpyridin-1-ium-3-yl) benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid bis(1-decyl-3-pyridin-1-iumyl) ester IUPAC Name: bis(1-decylpyridin-1-ium-3-yl) benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis(1-decylpyridin-1-ium-3-yl) ester Formula: C38H54N2O4+2 MolecularWeight: 602.84636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1=CC=CC(=C1)OC(=O)C2=CC=C(C=C2)C(=O)OC3=C[N+](=CC=C3)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCC[N+]1=CC=CC(=C1)OC(=O)C2=CC=C(C=C2)C(=O)OC3=C[N+](=CC=C3)CCCCCCCCCC

InChI

InChI=1S/C38H54N2O4/c1-3-5-7-9-11-13-15-17-27-39-29-19-21-35(31-39)43-37(41)33-23-25-34(26-24-33)38(42)44-36-22-20-30-40(32-36)28-18-16-14-12-10-8-6-4-2/h19-26,29-32H,3-18,27-28H2,1-2H3/q+2