benzene-1,2,4,5-tetracarboxylate; tritert-butyl-(tert-butylamino)azanium

Systemtic Name: benzene-1,2,4,5-tetracarboxylate; tritert-butyl-(tert-butylamino)azanium Openeye Name: benzene-1,2,4,5-tetracarboxylate; tritert-butyl-(tert-butylamino)ammonium CAS Name: benzene-1,2,4,5-tetracarboxylate; tritert-butyl-(tert-butylamino)ammonium IUPAC Name: benzene-1,2,4,5-tetracarboxylate; tritert-butyl-(tert-butylamino)azanium Traditional Name: benzene-1,2,4,5-tetracarboxylate; tritert-butyl-(tert-butylamino)ammonium Formula: C74H150N8O8 MolecularWeight: 1280.0316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C16H37N2.C10H6O8/c4*1-13(2,3)17-18(14(4,5)6,15(7,8)9)16(10,11)12;11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h4*17H,1-12H3;1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/q4*+1;/p-4