lanthanum(3+); 3-[1-(4-nitrophenyl)-3-oxidanylidene-butyl]-4-oxidanylidene-chromen-2-olate

Systemtic Name: lanthanum(3+); 3-[1-(4-nitrophenyl)-3-oxidanylidene-butyl]-4-oxidanylidene-chromen-2-olate Openeye Name: lanthanum(3+); 3-[1-(4-nitrophenyl)-3-oxo-butyl]-4-oxo-chromen-2-olate CAS Name: lanthanum(3+); 3-[1-(4-nitrophenyl)-3-oxobutyl]-4-oxo-1-benzopyran-2-olate IUPAC Name: lanthanum(3+); 3-[1-(4-nitrophenyl)-3-oxobutyl]-4-oxochromen-2-olate Traditional Name: 4-keto-3-[3-keto-1-(4-nitrophenyl)butyl]chromen-2-olate; lanthanum(3+) Formula: C57H42LaN3O18 MolecularWeight: 1195.85818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)[O-].CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)[O-].CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)[O-].[La+3]

Isomeric SMILES

CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)[O-].CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)[O-].CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)[O-].[La+3]

InChI

InChI=1S/3C19H15NO6.La/c3*1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23;/h3*2-9,15,23H,10H2,1H3;/q;;;+3/p-3