(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-methoxy-4-propan-2-yloxy-benzoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 4-isopropoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-propan-2-yloxybenzoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxy-3-methoxy-benzoic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C21H19BrO6 MolecularWeight: 447.27596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)OC

InChI

InChI=1S/C21H19BrO6/c1-12(2)27-17-7-4-13(8-19(17)25-3)21(24)26-11-14-9-20(23)28-18-10-15(22)5-6-16(14)18/h4-10,12H,11H2,1-3H3