[4-[1-(4-acetyloxyphenyl)-2-bromanyl-3,3-dimethyl-but-1-enyl]phenyl] ethanoate

Systemtic Name: [4-[1-(4-acetyloxyphenyl)-2-bromanyl-3,3-dimethyl-but-1-enyl]phenyl] ethanoate Openeye Name: [4-[1-(4-acetoxyphenyl)-2-bromo-3,3-dimethyl-but-1-enyl]phenyl] acetate CAS Name: acetic acid [4-[1-(4-acetyloxyphenyl)-2-bromo-3,3-dimethylbut-1-enyl]phenyl] ester IUPAC Name: [4-[1-(4-acetyloxyphenyl)-2-bromo-3,3-dimethylbut-1-enyl]phenyl] acetate Traditional Name: acetic acid [4-[1-(4-acetoxyphenyl)-2-bromo-3,3-dimethyl-but-1-enyl]phenyl] ester Formula: C22H23BrO4 MolecularWeight: 431.31962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrO4/c1-14(24)26-18-10-6-16(7-11-18)20(21(23)22(3,4)5)17-8-12-19(13-9-17)27-15(2)25/h6-13H,1-5H3