4-ethanoyl-1,2,2-trimethyl-5-oxidanyl-pyrrol-3-one; gadolinium

Systemtic Name: 4-ethanoyl-1,2,2-trimethyl-5-oxidanyl-pyrrol-3-one; gadolinium Openeye Name: 4-acetyl-5-hydroxy-1,2,2-trimethyl-pyrrol-3-one; gadolinium CAS Name: 4-acetyl-5-hydroxy-1,2,2-trimethyl-3-pyrrolone; gadolinium IUPAC Name: 4-acetyl-5-hydroxy-1,2,2-trimethylpyrrol-3-one; gadolinium Traditional Name: 4-acetyl-5-hydroxy-1,2,2-trimethyl-2-pyrrolin-3-one; gadolinium Formula: C27H39GdN3O9 MolecularWeight: 706.86326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C(C1=O)(C)C)C)O.CC(=O)C1=C(N(C(C1=O)(C)C)C)O.CC(=O)C1=C(N(C(C1=O)(C)C)C)O.[Gd]

Isomeric SMILES

CC(=O)C1=C(N(C(C1=O)(C)C)C)O.CC(=O)C1=C(N(C(C1=O)(C)C)C)O.CC(=O)C1=C(N(C(C1=O)(C)C)C)O.[Gd]

InChI

InChI=1S/3C9H13NO3.Gd/c3*1-5(11)6-7(12)9(2,3)10(4)8(6)13;/h3*13H,1-4H3;