(4-oxidanylidene-2-phenyl-chromen-3-yl) 3-bromanylbenzoate

Systemtic Name: (4-oxidanylidene-2-phenyl-chromen-3-yl) 3-bromanylbenzoate Openeye Name: (4-oxo-2-phenyl-chromen-3-yl) 3-bromobenzoate CAS Name: 3-bromobenzoic acid (4-oxo-2-phenyl-1-benzopyran-3-yl) ester IUPAC Name: (4-oxo-2-phenylchromen-3-yl) 3-bromobenzoate Traditional Name: 3-bromobenzoic acid (4-keto-2-phenyl-chromen-3-yl) ester Formula: C22H13BrO4 MolecularWeight: 421.24022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H13BrO4/c23-16-10-6-9-15(13-16)22(25)27-21-19(24)17-11-4-5-12-18(17)26-20(21)14-7-2-1-3-8-14/h1-13H