4-(4-bromanyl-2,3,6-trimethyl-phenoxy)butanoate

Systemtic Name: 4-(4-bromanyl-2,3,6-trimethyl-phenoxy)butanoate Openeye Name: 4-(4-bromo-2,3,6-trimethyl-phenoxy)butanoate CAS Name: 4-(4-bromo-2,3,6-trimethylphenoxy)butanoate IUPAC Name: 4-(4-bromo-2,3,6-trimethylphenoxy)butanoate Traditional Name: 4-(4-bromo-2,3,6-trimethyl-phenoxy)butyrate Formula: C13H16BrO3- MolecularWeight: 300.16834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrO3/c1-8-7-11(14)9(2)10(3)13(8)17-6-4-5-12(15)16/h7H,4-6H2,1-3H3,(H,15,16)/p-1