benzene-1,2,4-tricarboxylate; tetrabutylazanium

Systemtic Name: benzene-1,2,4-tricarboxylate; tetrabutylazanium Openeye Name: benzene-1,2,4-tricarboxylate; tetrabutylammonium CAS Name: benzene-1,2,4-tricarboxylate; tetrabutylammonium IUPAC Name: benzene-1,2,4-tricarboxylate; tetrabutylazanium Traditional Name: benzene-1,2,4-tricarboxylate; tetrabutylammonium Formula: C57H111N3O6 MolecularWeight: 934.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/3C16H36N.C9H6O6/c3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h3*5-16H2,1-4H3;1-3H,(H,10,11)(H,12,13)(H,14,15)/q3*+1;/p-3