6,8-bis[(diethylazaniumyl)methyl]-4-oxidanylidene-2-phenyl-chromene-5,7-diolate

Systemtic Name: 6,8-bis[(diethylazaniumyl)methyl]-4-oxidanylidene-2-phenyl-chromene-5,7-diolate Openeye Name: 6,8-bis[(diethylammonio)methyl]-4-oxo-2-phenyl-chromene-5,7-diolate CAS Name: 6,8-bis[(diethylammonio)methyl]-4-oxo-2-phenyl-1-benzopyran-5,7-diolate IUPAC Name: 6,8-bis[(diethylazaniumyl)methyl]-4-oxo-2-phenylchromene-5,7-diolate Traditional Name: 6,8-bis[(diethylammonio)methyl]-4-keto-2-phenyl-chromene-5,7-diolate Formula: C25H32N2O4 MolecularWeight: 424.53258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C(=C2C(=C1[O-])C(=O)C=C(O2)C3=CC=CC=C3)C[NH+](CC)CC)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C(=C2C(=C1[O-])C(=O)C=C(O2)C3=CC=CC=C3)C[NH+](CC)CC)[O-]

InChI

InChI=1S/C25H32N2O4/c1-5-26(6-2)15-18-23(29)19(16-27(7-3)8-4)25-22(24(18)30)20(28)14-21(31-25)17-12-10-9-11-13-17/h9-14,29-30H,5-8,15-16H2,1-4H3