3-[3-methyl-4-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoic acid

Systemtic Name: 3-[3-methyl-4-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoic acid Openeye Name: 3-[4-hydroxy-3-methyl-5-(1,1,3,3-tetramethylbutyl)phenyl]propanoic acid CAS Name: 3-[4-hydroxy-3-methyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoic acid IUPAC Name: 3-[4-hydroxy-3-methyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoic acid Traditional Name: 3-[4-hydroxy-3-methyl-5-(1,1,3,3-tetramethylbutyl)phenyl]propionic acid Formula: C18H28O3 MolecularWeight: 292.41312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O3/c1-12-9-13(7-8-15(19)20)10-14(16(12)21)18(5,6)11-17(2,3)4/h9-10,21H,7-8,11H2,1-6H3,(H,19,20)