2-[4-[[3-[(1-methylquinolin-1-ium-4-yl)methylidene]-2-oxidanyl-4-oxidanylidene-cyclobuten-1-yl]methylidene]quinolin-1-yl]ethylphosphonic acid

Systemtic Name: 2-[4-[[3-[(1-methylquinolin-1-ium-4-yl)methylidene]-2-oxidanyl-4-oxidanylidene-cyclobuten-1-yl]methylidene]quinolin-1-yl]ethylphosphonic acid Openeye Name: 2-[4-[[2-hydroxy-3-[(1-methylquinolin-1-ium-4-yl)methylene]-4-oxo-cyclobuten-1-yl]methylene]-1-quinolyl]ethylphosphonic acid CAS Name: 2-[4-[[2-hydroxy-3-[(1-methyl-4-quinolin-1-iumyl)methylidene]-4-oxo-1-cyclobutenyl]methylidene]-1-quinolinyl]ethylphosphonic acid IUPAC Name: 2-[4-[[2-hydroxy-3-[(1-methylquinolin-1-ium-4-yl)methylidene]-4-oxocyclobuten-1-yl]methylidene]quinolin-1-yl]ethylphosphonic acid Traditional Name: 2-[4-[[2-hydroxy-4-keto-3-[(1-methylquinolin-1-ium-4-yl)methylene]cyclobuten-1-yl]methylene]-1-quinolyl]ethylphosphonic acid Formula: C27H24N2O5P+ MolecularWeight: 487.463621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)C=C3C(=C(C3=O)C=C4C=CN(C5=CC=CC=C45)CCP(=O)(O)O)O

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)C=C3C(=C(C3=O)C=C4C=CN(C5=CC=CC=C45)CCP(=O)(O)O)O

InChI

InChI=1S/C27H23N2O5P/c1-28-12-10-18(20-6-2-4-8-24(20)28)16-22-26(30)23(27(22)31)17-19-11-13-29(14-15-35(32,33)34)25-9-5-3-7-21(19)25/h2-13,16-17H,14-15H2,1H3,(H2-,30,31,32,33,34)/p+1