3-(3,5-ditert-butyl-4-oxidanyl-phenyl)imino-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)imino-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)imino-4-oxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)imino-4-oxo-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)imino-4-oxocyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)imino-4-keto-cyclohexa-1,5-diene-1-carboxylic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N=C2C=C(C=CC2=O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N=C2C=C(C=CC2=O)C(=O)O

InChI

InChI=1S/C21H25NO4/c1-20(2,3)14-10-13(11-15(18(14)24)21(4,5)6)22-16-9-12(19(25)26)7-8-17(16)23/h7-11,24H,1-6H3,(H,25,26)