2-[3-butyl-5-(2-methylbutan-2-yl)-4-oxidanyl-phenyl]ethanoate

Systemtic Name: 2-[3-butyl-5-(2-methylbutan-2-yl)-4-oxidanyl-phenyl]ethanoate Openeye Name: 2-[3-butyl-5-(1,1-dimethylpropyl)-4-hydroxy-phenyl]acetate CAS Name: 2-[3-butyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate IUPAC Name: 2-[3-butyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate Traditional Name: 2-(3-tert-amyl-5-butyl-4-hydroxy-phenyl)acetate Formula: C17H25O3- MolecularWeight: 277.3786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=C1)CC(=O)[O-])C(C)(C)CC)O

Isomeric SMILES

CCCCC1=C(C(=CC(=C1)CC(=O)[O-])C(C)(C)CC)O

InChI

InChI=1S/C17H26O3/c1-5-7-8-13-9-12(11-15(18)19)10-14(16(13)20)17(3,4)6-2/h9-10,20H,5-8,11H2,1-4H3,(H,18,19)/p-1