[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-diethyl-azanium

Systemtic Name: [4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-diethyl-azanium Openeye Name: [4-(6-bromo-2-oxo-chromen-3-yl)-7-hydroxy-2-oxo-chromen-8-yl]methyl-diethyl-ammonium CAS Name: [4-(6-bromo-2-oxo-1-benzopyran-3-yl)-7-hydroxy-2-oxo-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [4-(6-bromo-2-oxochromen-3-yl)-7-hydroxy-2-oxochromen-8-yl]methyl-diethylazanium Traditional Name: [4-(6-bromo-2-keto-chromen-3-yl)-7-hydroxy-2-keto-chromen-8-yl]methyl-diethyl-ammonium Formula: C23H21BrNO5+ MolecularWeight: 471.32054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrNO5/c1-3-25(4-2)12-18-19(26)7-6-15-16(11-21(27)30-22(15)18)17-10-13-9-14(24)5-8-20(13)29-23(17)28/h5-11,26H,3-4,12H2,1-2H3/p+1