2-[3-tert-butyl-5-[(E)-3-(4-chloranyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]-2-oxidanyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[3-tert-butyl-5-[(E)-3-(4-chloranyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]-2-oxidanyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-tert-butyl-5-[(E)-3-(4-chloro-2-hydroxy-phenyl)-3-oxo-prop-1-enyl]-2-hydroxy-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-tert-butyl-5-[(E)-3-(4-chloro-2-hydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-tert-butyl-5-[(E)-3-(4-chloro-2-hydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-tert-butyl-5-[(E)-3-(4-chloro-2-hydroxy-phenyl)-3-keto-prop-1-enyl]-2-hydroxy-phenoxy]-2-methyl-propionic acid Formula: C23H25ClO6 MolecularWeight: 432.894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)C=CC(=O)C2=C(C=C(C=C2)Cl)O)OC(C)(C)C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)/C=C/C(=O)C2=C(C=C(C=C2)Cl)O)OC(C)(C)C(=O)O)O

InChI

InChI=1S/C23H25ClO6/c1-22(2,3)16-10-13(11-19(20(16)27)30-23(4,5)21(28)29)6-9-17(25)15-8-7-14(24)12-18(15)26/h6-12,26-27H,1-5H3,(H,28,29)/b9-6+