4-[[5-tert-butyl-3-[(4-carboxyphenyl)methylidene]-2-oxidanylidene-cyclohexylidene]methyl]benzoic acid

Systemtic Name: 4-[[5-tert-butyl-3-[(4-carboxyphenyl)methylidene]-2-oxidanylidene-cyclohexylidene]methyl]benzoic acid Openeye Name: 4-[[5-tert-butyl-3-[(4-carboxyphenyl)methylene]-2-oxo-cyclohexylidene]methyl]benzoic acid CAS Name: 4-[[5-tert-butyl-3-[(4-carboxyphenyl)methylidene]-2-oxocyclohexylidene]methyl]benzoic acid IUPAC Name: 4-[[5-tert-butyl-3-[(4-carboxyphenyl)methylidene]-2-oxocyclohexylidene]methyl]benzoic acid Traditional Name: 4-[[5-tert-butyl-3-(4-carboxybenzylidene)-2-keto-cyclohexylidene]methyl]benzoic acid Formula: C26H26O5 MolecularWeight: 418.48164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(=CC2=CC=C(C=C2)C(=O)O)C(=O)C(=CC3=CC=C(C=C3)C(=O)O)C1

Isomeric SMILES

CC(C)(C)C1CC(=CC2=CC=C(C=C2)C(=O)O)C(=O)C(=CC3=CC=C(C=C3)C(=O)O)C1

InChI

InChI=1S/C26H26O5/c1-26(2,3)22-14-20(12-16-4-8-18(9-5-16)24(28)29)23(27)21(15-22)13-17-6-10-19(11-7-17)25(30)31/h4-13,22H,14-15H2,1-3H3,(H,28,29)(H,30,31)