benzene-1,3-dicarboxylate; tetrabutylazanium

Systemtic Name: benzene-1,3-dicarboxylate; tetrabutylazanium Openeye Name: benzene-1,3-dicarboxylate; tetrabutylammonium CAS Name: benzene-1,3-dicarboxylate; tetrabutylammonium IUPAC Name: benzene-1,3-dicarboxylate; tetrabutylazanium Traditional Name: isophthalate; tetrabutylammonium Formula: C40H76N2O4 MolecularWeight: 649.04244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C16H36N.C8H6O4/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;9-7(10)5-2-1-3-6(4-5)8(11)12/h2*5-16H2,1-4H3;1-4H,(H,9,10)(H,11,12)/q2*+1;/p-2