2-[6-bromanyl-4-(4-chlorophenyl)-2-oxidanylidene-chromen-3-yl]-4-methyl-pentanoic acid

Systemtic Name: 2-[6-bromanyl-4-(4-chlorophenyl)-2-oxidanylidene-chromen-3-yl]-4-methyl-pentanoic acid Openeye Name: 2-[6-bromo-4-(4-chlorophenyl)-2-oxo-chromen-3-yl]-4-methyl-pentanoic acid CAS Name: 2-[6-bromo-4-(4-chlorophenyl)-2-oxo-1-benzopyran-3-yl]-4-methylpentanoic acid IUPAC Name: 2-[6-bromo-4-(4-chlorophenyl)-2-oxochromen-3-yl]-4-methylpentanoic acid Traditional Name: 2-[6-bromo-4-(4-chlorophenyl)-2-keto-chromen-3-yl]-4-methyl-valeric acid Formula: C21H18BrClO4 MolecularWeight: 449.72222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=C(C2=C(C=CC(=C2)Br)OC1=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(C)CC(C1=C(C2=C(C=CC(=C2)Br)OC1=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H18BrClO4/c1-11(2)9-16(20(24)25)19-18(12-3-6-14(23)7-4-12)15-10-13(22)5-8-17(15)27-21(19)26/h3-8,10-11,16H,9H2,1-2H3,(H,24,25)