4-[2-[(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)methyl]phenoxy]carbonylbenzoic acid

Systemtic Name: 4-[2-[(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)methyl]phenoxy]carbonylbenzoic acid Openeye Name: 4-[2-[(3-tert-butyl-2-hydroxy-5-methyl-phenyl)methyl]phenoxy]carbonylbenzoic acid CAS Name: 4-[[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]phenoxy]-oxomethyl]benzoic acid IUPAC Name: 4-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]phenoxy]carbonylbenzoic acid Traditional Name: 4-[2-(3-tert-butyl-2-hydroxy-5-methyl-benzyl)phenoxy]carbonylbenzoic acid Formula: C26H26O5 MolecularWeight: 418.48164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=CC=CC=C2OC(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=CC=CC=C2OC(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H26O5/c1-16-13-20(23(27)21(14-16)26(2,3)4)15-19-7-5-6-8-22(19)31-25(30)18-11-9-17(10-12-18)24(28)29/h5-14,27H,15H2,1-4H3,(H,28,29)