5-[3,5-bis(2-methyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl)-4-oxidanyl-phenyl]-5-methyl-hexanoic acid

Systemtic Name: 5-[3,5-bis(2-methyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl)-4-oxidanyl-phenyl]-5-methyl-hexanoic acid Openeye Name: 5-[4-hydroxy-3,5-bis(5-hydroxy-1,1-dimethyl-5-oxo-pentyl)phenyl]-5-methyl-hexanoic acid CAS Name: 5-[4-hydroxy-3,5-bis(6-hydroxy-2-methyl-6-oxohexan-2-yl)phenyl]-5-methylhexanoic acid IUPAC Name: 5-[4-hydroxy-3,5-bis(6-hydroxy-2-methyl-6-oxohexan-2-yl)phenyl]-5-methylhexanoic acid Traditional Name: 5-[4-hydroxy-3,5-bis(5-hydroxy-5-keto-1,1-dimethyl-pentyl)phenyl]-5-methyl-hexanoic acid Formula: C27H42O7 MolecularWeight: 478.61818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42O7/c1-25(2,13-7-10-21(28)29)18-16-19(26(3,4)14-8-11-22(30)31)24(34)20(17-18)27(5,6)15-9-12-23(32)33/h16-17,34H,7-15H2,1-6H3,(H,28,29)(H,30,31)(H,32,33)