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

Systemtic Name: 5-[4-(4,4-dimethyl-5-oxidanyl-5-oxidanylidene-pentoxy)-3-(hydroxymethyl)phenoxy]-2,2-dimethyl-pentanoic acid Openeye Name: 5-[4-(5-hydroxy-4,4-dimethyl-5-oxo-pentoxy)-3-(hydroxymethyl)phenoxy]-2,2-dimethyl-pentanoic acid CAS Name: 5-[4-(5-hydroxy-4,4-dimethyl-5-oxopentoxy)-3-(hydroxymethyl)phenoxy]-2,2-dimethylpentanoic acid IUPAC Name: 5-[4-(5-hydroxy-4,4-dimethyl-5-oxopentoxy)-3-(hydroxymethyl)phenoxy]-2,2-dimethylpentanoic acid Traditional Name: 5-[4-(5-hydroxy-5-keto-4,4-dimethyl-pentoxy)-3-methylol-phenoxy]-2,2-dimethyl-valeric acid Formula: C21H32O7 MolecularWeight: 396.47458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O7/c1-20(2,18(23)24)9-5-11-27-16-7-8-17(15(13-16)14-22)28-12-6-10-21(3,4)19(25)26/h7-8,13,22H,5-6,9-12,14H2,1-4H3,(H,23,24)(H,25,26)