4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-8-[(dimethylazaniumyl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-8-[(dimethylazaniumyl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 4-(6-bromo-2-oxo-chromen-3-yl)-8-[(dimethylammonio)methyl]-2-oxo-chromen-7-olate CAS Name: 4-(6-bromo-2-oxo-1-benzopyran-3-yl)-8-[(dimethylammonio)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-(6-bromo-2-oxochromen-3-yl)-8-[(dimethylazaniumyl)methyl]-2-oxochromen-7-olate Traditional Name: 4-(6-bromo-2-keto-chromen-3-yl)-8-[(dimethylammonio)methyl]-2-keto-chromen-7-olate Formula: C21H16BrNO5 MolecularWeight: 442.25944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1OC(=O)C=C2C3=CC4=C(C=CC(=C4)Br)OC3=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1OC(=O)C=C2C3=CC4=C(C=CC(=C4)Br)OC3=O)[O-]

InChI

InChI=1S/C21H16BrNO5/c1-23(2)10-16-17(24)5-4-13-14(9-19(25)28-20(13)16)15-8-11-7-12(22)3-6-18(11)27-21(15)26/h3-9,24H,10H2,1-2H3