benzene-1,3-dicarboxylate; tetramethylazanium

Systemtic Name: benzene-1,3-dicarboxylate; tetramethylazanium Openeye Name: benzene-1,3-dicarboxylate; tetramethylammonium CAS Name: benzene-1,3-dicarboxylate; tetramethylammonium IUPAC Name: benzene-1,3-dicarboxylate; tetramethylazanium Traditional Name: isophthalate; tetramethylammonium Formula: C16H28N2O4 MolecularWeight: 312.40452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.2C4H12N/c9-7(10)5-2-1-3-6(4-5)8(11)12;2*1-5(2,3)4/h1-4H,(H,9,10)(H,11,12);2*1-4H3/q;2*+1/p-2