(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-propanoylphenoxy)ethanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-propanoylphenoxy)ethanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 2-(4-propanoylphenoxy)acetate CAS Name: 2-[4-(1-oxopropyl)phenoxy]acetic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 2-(4-propanoylphenoxy)acetate Traditional Name: 2-(4-propionylphenoxy)acetic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C21H17BrO6 MolecularWeight: 445.26008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C21H17BrO6/c1-2-18(23)13-3-6-16(7-4-13)26-12-21(25)27-11-14-9-20(24)28-19-10-15(22)5-8-17(14)19/h3-10H,2,11-12H2,1H3