4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-chromen-7-olate

Systemtic Name: 4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-chromen-7-olate Openeye Name: 4-(6-bromo-2-oxo-chromen-3-yl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxo-chromen-7-olate CAS Name: 4-(6-bromo-2-oxo-1-benzopyran-3-yl)-8-(4-morpholin-4-iumylmethyl)-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-(6-bromo-2-oxochromen-3-yl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxochromen-7-olate Traditional Name: 4-(6-bromo-2-keto-chromen-3-yl)-2-keto-8-(morpholin-4-ium-4-ylmethyl)chromen-7-olate Formula: C23H18BrNO6 MolecularWeight: 484.29612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Br)OC4=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Br)OC4=O)[O-]

InChI

InChI=1S/C23H18BrNO6/c24-14-1-4-20-13(9-14)10-17(23(28)30-20)16-11-21(27)31-22-15(16)2-3-19(26)18(22)12-25-5-7-29-8-6-25/h1-4,9-11,26H,5-8,12H2