3-[3,5-bis(2-methylheptan-2-yl)-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 3-[3,5-bis(2-methylheptan-2-yl)-4-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[3,5-bis(1,1-dimethylhexyl)-4-hydroxy-phenyl]propanoic acid CAS Name: 3-[4-hydroxy-3,5-bis(2-methylheptan-2-yl)phenyl]propanoic acid IUPAC Name: 3-[4-hydroxy-3,5-bis(2-methylheptan-2-yl)phenyl]propanoic acid Traditional Name: 3-[3,5-bis(1,1-dimethylhexyl)-4-hydroxy-phenyl]propionic acid Formula: C25H42O3 MolecularWeight: 390.59918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCCC)CCC(=O)O

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCCC)CCC(=O)O

InChI

InChI=1S/C25H42O3/c1-7-9-11-15-24(3,4)20-17-19(13-14-22(26)27)18-21(23(20)28)25(5,6)16-12-10-8-2/h17-18,28H,7-16H2,1-6H3,(H,26,27)