[4-bromanyl-2,2-dimethyl-3-oxidanylidene-4-(4-phenylphenoxy)butyl] ethanoate

Systemtic Name: [4-bromanyl-2,2-dimethyl-3-oxidanylidene-4-(4-phenylphenoxy)butyl] ethanoate Openeye Name: [4-bromo-2,2-dimethyl-3-oxo-4-(4-phenylphenoxy)butyl] acetate CAS Name: acetic acid [4-bromo-2,2-dimethyl-3-oxo-4-(4-phenylphenoxy)butyl] ester IUPAC Name: [4-bromo-2,2-dimethyl-3-oxo-4-(4-phenylphenoxy)butyl] acetate Traditional Name: acetic acid [4-bromo-3-keto-2,2-dimethyl-4-(4-phenylphenoxy)butyl] ester Formula: C20H21BrO4 MolecularWeight: 405.28234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C)(C)C(=O)C(OC1=CC=C(C=C1)C2=CC=CC=C2)Br

Isomeric SMILES

CC(=O)OCC(C)(C)C(=O)C(OC1=CC=C(C=C1)C2=CC=CC=C2)Br

InChI

InChI=1S/C20H21BrO4/c1-14(22)24-13-20(2,3)18(23)19(21)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,19H,13H2,1-3H3