(2-bromanyl-1-ethanoyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ethanoate

Systemtic Name: (2-bromanyl-1-ethanoyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ethanoate Openeye Name: (1-acetyl-2-bromo-4-phenyl-cyclohexa-2,5-dien-1-yl) acetate CAS Name: acetic acid (1-acetyl-2-bromo-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-acetyl-2-bromo-4-phenylcyclohexa-2,5-dien-1-yl) acetate Traditional Name: acetic acid (1-acetyl-2-bromo-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C16H15BrO3 MolecularWeight: 335.1925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C=CC(C=C1Br)C2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC(=O)C1(C=CC(C=C1Br)C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C16H15BrO3/c1-11(18)16(20-12(2)19)9-8-14(10-15(16)17)13-6-4-3-5-7-13/h3-10,14H,1-2H3