(2-ethanoyl-4-methyl-phenyl) 7-bromanyl-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxylate

Systemtic Name: (2-ethanoyl-4-methyl-phenyl) 7-bromanyl-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxylate Openeye Name: (2-acetyl-4-methyl-phenyl) 7-bromo-3-methyl-1-oxo-isochromane-3-carboxylate CAS Name: 7-bromo-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid (2-acetyl-4-methylphenyl) ester IUPAC Name: (2-acetyl-4-methylphenyl) 7-bromo-3-methyl-1-oxo-4H-isochromene-3-carboxylate Traditional Name: 7-bromo-1-keto-3-methyl-isochroman-3-carboxylic acid (2-acetyl-4-methyl-phenyl) ester Formula: C20H17BrO5 MolecularWeight: 417.24998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2(CC3=C(C=C(C=C3)Br)C(=O)O2)C)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2(CC3=C(C=C(C=C3)Br)C(=O)O2)C)C(=O)C

InChI

InChI=1S/C20H17BrO5/c1-11-4-7-17(15(8-11)12(2)22)25-19(24)20(3)10-13-5-6-14(21)9-16(13)18(23)26-20/h4-9H,10H2,1-3H3