4-(4-bromanyl-3-methyl-phenoxy)butanoate

Systemtic Name: 4-(4-bromanyl-3-methyl-phenoxy)butanoate Openeye Name: 4-(4-bromo-3-methyl-phenoxy)butanoate CAS Name: 4-(4-bromo-3-methylphenoxy)butanoate IUPAC Name: 4-(4-bromo-3-methylphenoxy)butanoate Traditional Name: 4-(4-bromo-3-methyl-phenoxy)butyrate Formula: C11H12BrO3- MolecularWeight: 272.11518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)[O-])Br

InChI

InChI=1S/C11H13BrO3/c1-8-7-9(4-5-10(8)12)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)/p-1