2,5-bis(3-azanylidene-5-tert-butyl-2-oxidanyl-cyclohexa-1,5-dien-1-yl)hexanedioic acid

Systemtic Name: 2,5-bis(3-azanylidene-5-tert-butyl-2-oxidanyl-cyclohexa-1,5-dien-1-yl)hexanedioic acid Openeye Name: 2,5-bis(5-tert-butyl-2-hydroxy-3-imino-cyclohexa-1,5-dien-1-yl)hexanedioic acid CAS Name: 2,5-bis(5-tert-butyl-2-hydroxy-3-imino-1-cyclohexa-1,5-dienyl)hexanedioic acid IUPAC Name: 2,5-bis(5-tert-butyl-2-hydroxy-3-iminocyclohexa-1,5-dien-1-yl)hexanedioic acid Traditional Name: 2,5-bis(5-tert-butyl-2-hydroxy-3-imino-cyclohexa-1,5-dien-1-yl)adipic acid Formula: C26H36N2O6 MolecularWeight: 472.57384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=N)C1)O)C(CCC(C2=C(C(=N)CC(=C2)C(C)(C)C)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=N)C1)O)C(CCC(C2=C(C(=N)CC(=C2)C(C)(C)C)O)C(=O)O)C(=O)O

InChI

InChI=1S/C26H36N2O6/c1-25(2,3)13-9-17(21(29)19(27)11-13)15(23(31)32)7-8-16(24(33)34)18-10-14(26(4,5)6)12-20(28)22(18)30/h9-10,15-16,27-30H,7-8,11-12H2,1-6H3,(H,31,32)(H,33,34)