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

Systemtic Name: 3-[4-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoic acid Openeye Name: 3-[4-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 3-[4-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 3-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid Traditional Name: 3-[4-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]benzoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)O)C=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)O)C=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C26H30N2O4/c1-15-19(23(30)28(27-15)18-10-8-9-17(14-18)24(31)32)11-16-12-20(25(2,3)4)22(29)21(13-16)26(5,6)7/h8-14,27H,1-7H3,(H,31,32)