5-azanylbenzene-1,3-dicarboxylic acid; 5-tert-butylbenzene-1,3-dicarboxylic acid

Systemtic Name: 5-azanylbenzene-1,3-dicarboxylic acid; 5-tert-butylbenzene-1,3-dicarboxylic acid Openeye Name: 5-aminobenzene-1,3-dicarboxylic acid; 5-tert-butylbenzene-1,3-dicarboxylic acid CAS Name: 5-aminobenzene-1,3-dicarboxylic acid; 5-tert-butylbenzene-1,3-dicarboxylic acid IUPAC Name: 5-aminobenzene-1,3-dicarboxylic acid; 5-tert-butylbenzene-1,3-dicarboxylic acid Traditional Name: 5-aminoisophthalic acid; 5-tert-butylisophthalic acid Formula: C20H21NO8 MolecularWeight: 403.38264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=C(C=C(C=C1C(=O)O)N)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=C(C=C(C=C1C(=O)O)N)C(=O)O

InChI

InChI=1S/C12H14O4.C8H7NO4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16;9-6-2-4(7(10)11)1-5(3-6)8(12)13/h4-6H,1-3H3,(H,13,14)(H,15,16);1-3H,9H2,(H,10,11)(H,12,13)