benzene-1,2,4-tricarboxylate; triethyl-(phenylmethyl)azanium

Systemtic Name: benzene-1,2,4-tricarboxylate; triethyl-(phenylmethyl)azanium Openeye Name: benzene-1,2,4-tricarboxylate; benzyl(triethyl)ammonium CAS Name: benzene-1,2,4-tricarboxylate; triethyl-(phenylmethyl)ammonium IUPAC Name: benzene-1,2,4-tricarboxylate; benzyl(triethyl)azanium Traditional Name: benzene-1,2,4-tricarboxylate; benzyl(triethyl)ammonium Formula: C48H69N3O6 MolecularWeight: 784.07796

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=CC=CC=C1.CC[N+](CC)(CC)CC1=CC=CC=C1.CC[N+](CC)(CC)CC1=CC=CC=C1.C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC[N+](CC)(CC)CC1=CC=CC=C1.CC[N+](CC)(CC)CC1=CC=CC=C1.CC[N+](CC)(CC)CC1=CC=CC=C1.C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/3C13H22N.C9H6O6/c3*1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h3*7-11H,4-6,12H2,1-3H3;1-3H,(H,10,11)(H,12,13)(H,14,15)/q3*+1;/p-3