2-[3-ethyl-4-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethanoate

Systemtic Name: 2-[3-ethyl-4-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethanoate Openeye Name: 2-[3-ethyl-4-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]acetate CAS Name: 2-[3-ethyl-4-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]acetate IUPAC Name: 2-[3-ethyl-4-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]acetate Traditional Name: 2-[3-ethyl-4-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]acetate Formula: C18H27O3- MolecularWeight: 291.40518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)CC(=O)[O-])C(C)(C)CC(C)(C)C)O

Isomeric SMILES

CCC1=C(C(=CC(=C1)CC(=O)[O-])C(C)(C)CC(C)(C)C)O

InChI

InChI=1S/C18H28O3/c1-7-13-8-12(10-15(19)20)9-14(16(13)21)18(5,6)11-17(2,3)4/h8-9,21H,7,10-11H2,1-6H3,(H,19,20)/p-1