6-tert-butyl-1H-indole-2,4-dicarboxylic acid

Systemtic Name: 6-tert-butyl-1H-indole-2,4-dicarboxylic acid Openeye Name: 6-tert-butyl-1H-indole-2,4-dicarboxylic acid CAS Name: 6-tert-butyl-1H-indole-2,4-dicarboxylic acid IUPAC Name: 6-tert-butyl-1H-indole-2,4-dicarboxylic acid Traditional Name: 6-tert-butyl-1H-indole-2,4-dicarboxylic acid Formula: C14H15NO4 MolecularWeight: 261.2732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C(N2)C(=O)O)C(=C1)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C(N2)C(=O)O)C(=C1)C(=O)O

InChI

InChI=1S/C14H15NO4/c1-14(2,3)7-4-9(12(16)17)8-6-11(13(18)19)15-10(8)5-7/h4-6,15H,1-3H3,(H,16,17)(H,18,19)