Basic information
- Standard SMILES
CC(C)(C)C1=CC(=Nc2ccc(C(=O)O)cc2)C=C(C(C)(C)C)C1=O- InChIKey
UXOUMJXSKFRVRG-UHFFFAOYSA-N- Molecular formula
- C21H25NO3
- Average molar mass
- 339.4 g/mol
Names & identifiers
- Preferred name
- 2,6-Di(tertiary-butyl)-4-(4'-carboxyphenylimino)-2,5-cyclohexadien-l-one
- IUPAC
- 4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]benzoic acid
Names & synonyms
SCHEMBL8971776UXOUMJXSKFRVRG-UHFFFAOYSA-N2,6-di(tertiary-butyl)-4-(4'-carboxyphenylimino)-2,5-cyclohexadien-1-one2,6-di(tertiary-butyl)-4-(4'-carboxyphenylimino)-2,5-cyclohexadien-l-one2,6-di(tertiary-butyl)-4-(4'-carboxyphenylimino)-2,5-cylohexadien-1-one
Database identifiers
- PubChem CID
- 15294543
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 610
Related reactions
17 records
Linked notes
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