5-[3-chloranyl-4-(4,4-dimethyl-5-oxidanyl-5-oxidanylidene-pentoxy)phenoxy]-2,2-dimethyl-pentanoic acid

Systemtic Name: 5-[3-chloranyl-4-(4,4-dimethyl-5-oxidanyl-5-oxidanylidene-pentoxy)phenoxy]-2,2-dimethyl-pentanoic acid Openeye Name: 5-[3-chloro-4-(5-hydroxy-4,4-dimethyl-5-oxo-pentoxy)phenoxy]-2,2-dimethyl-pentanoic acid CAS Name: 5-[3-chloro-4-(5-hydroxy-4,4-dimethyl-5-oxopentoxy)phenoxy]-2,2-dimethylpentanoic acid IUPAC Name: 5-[3-chloro-4-(5-hydroxy-4,4-dimethyl-5-oxopentoxy)phenoxy]-2,2-dimethylpentanoic acid Traditional Name: 5-[3-chloro-4-(5-hydroxy-5-keto-4,4-dimethyl-pentoxy)phenoxy]-2,2-dimethyl-valeric acid Formula: C20H29ClO6 MolecularWeight: 400.89366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCOC1=CC(=C(C=C1)OCCCC(C)(C)C(=O)O)Cl)C(=O)O

Isomeric SMILES

CC(C)(CCCOC1=CC(=C(C=C1)OCCCC(C)(C)C(=O)O)Cl)C(=O)O

InChI

InChI=1S/C20H29ClO6/c1-19(2,17(22)23)9-5-11-26-14-7-8-16(15(21)13-14)27-12-6-10-20(3,4)18(24)25/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23)(H,24,25)