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

Systemtic Name: 4-[2-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]benzoic acid Openeye Name: 4-[2-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]benzoic acid CAS Name: 4-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]benzoic acid IUPAC Name: 4-[2-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]benzoic acid Traditional Name: 4-[N'-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]benzoic acid Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNNC2=CC=C(C=C2)C(=O)O)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CNNC2=CC=C(C=C2)C(=O)O)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C22H28N2O3/c1-21(2,3)17-11-14(12-18(19(17)25)22(4,5)6)13-23-24-16-9-7-15(8-10-16)20(26)27/h7-13,23-24H,1-6H3,(H,26,27)