4-[(E)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-but-3-enoxy]benzoic acid

Systemtic Name: 4-[(E)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-but-3-enoxy]benzoic acid Openeye Name: 4-[(E)-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-oxo-but-3-enoxy]benzoic acid CAS Name: 4-[(E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxobut-3-enoxy]benzoic acid IUPAC Name: 4-[(E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxobut-3-enoxy]benzoic acid Traditional Name: 4-[(E)-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-keto-but-3-enoxy]benzoic acid Formula: C25H30O5 MolecularWeight: 410.5027

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)COC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)COC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C25H30O5/c1-24(2,3)20-13-16(14-21(22(20)27)25(4,5)6)7-10-18(26)15-30-19-11-8-17(9-12-19)23(28)29/h7-14,27H,15H2,1-6H3,(H,28,29)/b10-7+