2-(4-tert-butylphenyl)-5-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-phenyl-1H-pyrazole-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-5-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-phenyl-1H-pyrazole-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-5-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-phenyl-1H-pyrazole-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-5-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-3-phenyl-1H-pyrazole-4-carboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-5-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenyl-1H-pyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-5-phenyl-3-pyrazoline-4-carboxylic acid Formula: C26H24N2O4 MolecularWeight: 428.47976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=C(C(=C3C=CC(=O)C(=C3)O)N2)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=C(C(=C3C=CC(=O)C(=C3)O)N2)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O4/c1-26(2,3)18-10-12-19(13-11-18)28-24(16-7-5-4-6-8-16)22(25(31)32)23(27-28)17-9-14-20(29)21(30)15-17/h4-15,27,30H,1-3H3,(H,31,32)