erbium(3+); 2-(phenylcarbamoyl)benzoate

Systemtic Name: erbium(3+); 2-(phenylcarbamoyl)benzoate Openeye Name: erbium(3+); 2-(phenylcarbamoyl)benzoate CAS Name: 2-[anilino(oxo)methyl]benzoate; erbium(3+) IUPAC Name: erbium(3+); 2-(phenylcarbamoyl)benzoate Traditional Name: erbium(3+); 2-(phenylcarbamoyl)benzoate Formula: C42H30ErN3O9 MolecularWeight: 887.9613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)[O-].C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)[O-].C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)[O-].[Er+3]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)[O-].C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)[O-].C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)[O-].[Er+3]

InChI

InChI=1S/3C14H11NO3.Er/c3*16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18;/h3*1-9H,(H,15,16)(H,17,18);/q;;;+3/p-3