5-methyl-5-[4-(2-methyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl)-2,5-bis(oxidanyl)phenyl]hexanoic acid

Systemtic Name: 5-methyl-5-[4-(2-methyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl)-2,5-bis(oxidanyl)phenyl]hexanoic acid Openeye Name: 5-[2,5-dihydroxy-4-(5-hydroxy-1,1-dimethyl-5-oxo-pentyl)phenyl]-5-methyl-hexanoic acid CAS Name: 5-[2,5-dihydroxy-4-(6-hydroxy-2-methyl-6-oxohexan-2-yl)phenyl]-5-methylhexanoic acid IUPAC Name: 5-[2,5-dihydroxy-4-(6-hydroxy-2-methyl-6-oxohexan-2-yl)phenyl]-5-methylhexanoic acid Traditional Name: 5-[2,5-dihydroxy-4-(5-hydroxy-5-keto-1,1-dimethyl-pentyl)phenyl]-5-methyl-hexanoic acid Formula: C20H30O6 MolecularWeight: 366.4486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC(=O)O)C1=CC(=C(C=C1O)C(C)(C)CCCC(=O)O)O

Isomeric SMILES

CC(C)(CCCC(=O)O)C1=CC(=C(C=C1O)C(C)(C)CCCC(=O)O)O

InChI

InChI=1S/C20H30O6/c1-19(2,9-5-7-17(23)24)13-11-16(22)14(12-15(13)21)20(3,4)10-6-8-18(25)26/h11-12,21-22H,5-10H2,1-4H3,(H,23,24)(H,25,26)