(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H21BrO6 MolecularWeight: 461.30254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)C)OC

InChI

InChI=1S/C22H21BrO6/c1-4-7-27-21-17(23)9-14(10-19(21)26-3)22(25)28-12-15-11-20(24)29-18-8-13(2)5-6-16(15)18/h5-6,8-11H,4,7,12H2,1-3H3