6-tert-butyl-3-(2-carboxyphenyl)-1-oxidanylidene-3-phenyl-2-benzofuran-4-carboxylic acid

Systemtic Name: 6-tert-butyl-3-(2-carboxyphenyl)-1-oxidanylidene-3-phenyl-2-benzofuran-4-carboxylic acid Openeye Name: 6-tert-butyl-3-(2-carboxyphenyl)-1-oxo-3-phenyl-isobenzofuran-4-carboxylic acid CAS Name: 6-tert-butyl-3-(2-carboxyphenyl)-1-oxo-3-phenyl-4-isobenzofurancarboxylic acid IUPAC Name: 6-tert-butyl-3-(2-carboxyphenyl)-1-oxo-3-phenyl-2-benzofuran-4-carboxylic acid Traditional Name: 6-tert-butyl-3-(2-carboxyphenyl)-1-keto-3-phenyl-phthalan-4-carboxylic acid Formula: C26H22O6 MolecularWeight: 430.44928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C(=O)OC2(C3=CC=CC=C3)C4=CC=CC=C4C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C(=O)OC2(C3=CC=CC=C3)C4=CC=CC=C4C(=O)O)C(=O)O

InChI

InChI=1S/C26H22O6/c1-25(2,3)16-13-18(23(29)30)21-19(14-16)24(31)32-26(21,15-9-5-4-6-10-15)20-12-8-7-11-17(20)22(27)28/h4-14H,1-3H3,(H,27,28)(H,29,30)