(4E)-4-[5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,2-dihydropyrazol-3-ylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,2-dihydropyrazol-3-ylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[5-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,2-dihydropyrazol-3-ylidene]-2-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-dihydropyrazol-3-ylidene]-2-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-dihydropyrazol-3-ylidene]-2-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[5-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-pyrazolin-3-ylidene]-2-hydroxy-cyclohexa-2,5-dien-1-one Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=C3C=CC(=O)C(=C3)O)NN2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C/C(=C\3/C=CC(=O)C(=C3)O)/NN2

InChI

InChI=1S/C23H28N2O3/c1-22(2,3)15-9-14(10-16(21(15)28)23(4,5)6)18-12-17(24-25-18)13-7-8-19(26)20(27)11-13/h7-12,24-25,27-28H,1-6H3/b17-13+