3,5-diacetamidobenzoate; lanthanum(3+)

Systemtic Name: 3,5-diacetamidobenzoate; lanthanum(3+) Openeye Name: 3,5-diacetamidobenzoate; lanthanum(3+) CAS Name: 3,5-diacetamidobenzoate; lanthanum(3+) IUPAC Name: 3,5-diacetamidobenzoate; lanthanum(3+) Traditional Name: 3,5-diacetamidobenzoate; lanthanum(3+) Formula: C33H33LaN6O12 MolecularWeight: 844.55362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)[O-])NC(=O)C.CC(=O)NC1=CC(=CC(=C1)C(=O)[O-])NC(=O)C.CC(=O)NC1=CC(=CC(=C1)C(=O)[O-])NC(=O)C.[La+3]

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)[O-])NC(=O)C.CC(=O)NC1=CC(=CC(=C1)C(=O)[O-])NC(=O)C.CC(=O)NC1=CC(=CC(=C1)C(=O)[O-])NC(=O)C.[La+3]

InChI

InChI=1S/3C11H12N2O4.La/c3*1-6(14)12-9-3-8(11(16)17)4-10(5-9)13-7(2)15;/h3*3-5H,1-2H3,(H,12,14)(H,13,15)(H,16,17);/q;;;+3/p-3