3-tert-butyl-4-[5-(2-tert-butylphenoxy)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxy-benzoic acid

Systemtic Name: 3-tert-butyl-4-[5-(2-tert-butylphenoxy)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxy-benzoic acid Openeye Name: 3-tert-butyl-4-[4-(2-tert-butylphenoxy)-1-carboxy-butoxy]benzoic acid CAS Name: 3-tert-butyl-4-[5-(2-tert-butylphenoxy)-1-hydroxy-1-oxopentan-2-yl]oxybenzoic acid IUPAC Name: 3-tert-butyl-4-[5-(2-tert-butylphenoxy)-1-hydroxy-1-oxopentan-2-yl]oxybenzoic acid Traditional Name: 3-tert-butyl-4-[4-(2-tert-butylphenoxy)-1-carboxy-butoxy]benzoic acid Formula: C26H34O6 MolecularWeight: 442.54456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCCCC(C(=O)O)OC2=C(C=C(C=C2)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCCCC(C(=O)O)OC2=C(C=C(C=C2)C(=O)O)C(C)(C)C

InChI

InChI=1S/C26H34O6/c1-25(2,3)18-10-7-8-11-20(18)31-15-9-12-22(24(29)30)32-21-14-13-17(23(27)28)16-19(21)26(4,5)6/h7-8,10-11,13-14,16,22H,9,12,15H2,1-6H3,(H,27,28)(H,29,30)