4-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]benzoic acid

Systemtic Name: 4-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]benzoic acid Openeye Name: 4-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]benzoic acid CAS Name: 4-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]benzoic acid IUPAC Name: 4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]benzoic acid Traditional Name: 4-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]benzoic acid Formula: C22H27NO3 MolecularWeight: 353.45468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNC2=CC=C(C=C2)C(=O)O)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CNC2=CC=C(C=C2)C(=O)O)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C22H27NO3/c1-21(2,3)17-11-14(12-18(19(17)24)22(4,5)6)13-23-16-9-7-15(8-10-16)20(25)26/h7-13,23H,1-6H3,(H,25,26)