4-(4-bromanyl-2-tert-butyl-6-methyl-phenoxy)butanoate

Systemtic Name: 4-(4-bromanyl-2-tert-butyl-6-methyl-phenoxy)butanoate Openeye Name: 4-(4-bromo-2-tert-butyl-6-methyl-phenoxy)butanoate CAS Name: 4-(4-bromo-2-tert-butyl-6-methylphenoxy)butanoate IUPAC Name: 4-(4-bromo-2-tert-butyl-6-methylphenoxy)butanoate Traditional Name: 4-(4-bromo-2-tert-butyl-6-methyl-phenoxy)butyrate Formula: C15H20BrO3- MolecularWeight: 328.2215

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCC(=O)[O-])C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCCCC(=O)[O-])C(C)(C)C)Br

InChI

InChI=1S/C15H21BrO3/c1-10-8-11(16)9-12(15(2,3)4)14(10)19-7-5-6-13(17)18/h8-9H,5-7H2,1-4H3,(H,17,18)/p-1