5-methyl-5-[5-methyl-3-(2-methyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl)-2-oxidanyl-phenyl]hexanoic acid

Systemtic Name: 5-methyl-5-[5-methyl-3-(2-methyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl)-2-oxidanyl-phenyl]hexanoic acid Openeye Name: 5-[2-hydroxy-3-(5-hydroxy-1,1-dimethyl-5-oxo-pentyl)-5-methyl-phenyl]-5-methyl-hexanoic acid CAS Name: 5-[2-hydroxy-3-(6-hydroxy-2-methyl-6-oxohexan-2-yl)-5-methylphenyl]-5-methylhexanoic acid IUPAC Name: 5-[2-hydroxy-3-(6-hydroxy-2-methyl-6-oxohexan-2-yl)-5-methylphenyl]-5-methylhexanoic acid Traditional Name: 5-[2-hydroxy-3-(5-hydroxy-5-keto-1,1-dimethyl-pentyl)-5-methyl-phenyl]-5-methyl-hexanoic acid Formula: C21H32O5 MolecularWeight: 364.47578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)CCCC(=O)O)O)C(C)(C)CCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)CCCC(=O)O)O)C(C)(C)CCCC(=O)O

InChI

InChI=1S/C21H32O5/c1-14-12-15(20(2,3)10-6-8-17(22)23)19(26)16(13-14)21(4,5)11-7-9-18(24)25/h12-13,26H,6-11H2,1-5H3,(H,22,23)(H,24,25)