neodymium; 3-[1-(4-nitrophenyl)-3-oxidanylidene-butyl]-2-oxidanyl-chromen-4-one

Systemtic Name: neodymium; 3-[1-(4-nitrophenyl)-3-oxidanylidene-butyl]-2-oxidanyl-chromen-4-one Openeye Name: 2-hydroxy-3-[1-(4-nitrophenyl)-3-oxo-butyl]chromen-4-one; neodymium CAS Name: 2-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-1-benzopyran-4-one; neodymium IUPAC Name: 2-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-4-one; neodymium Traditional Name: 2-hydroxy-3-[3-keto-1-(4-nitrophenyl)butyl]chromone; neodymium Formula: C57H45N3NdO18 MolecularWeight: 1204.2165

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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.[Nd]

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.[Nd]

InChI

InChI=1S/3C19H15NO6.Nd/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;