calcium 2-azanyl-2-[3-(phenylcarbonyl)phenyl]ethanoate dihydrate

Systemtic Name: calcium 2-azanyl-2-[3-(phenylcarbonyl)phenyl]ethanoate dihydrate Openeye Name: calcium 2-amino-2-(3-benzoylphenyl)acetate dihydrate CAS Name: calcium 2-amino-2-(3-benzoylphenyl)acetate dihydrate IUPAC Name: calcium 2-amino-2-(3-benzoylphenyl)acetate dihydrate Traditional Name: calcium 2-amino-2-(3-benzoylphenyl)acetate dihydrate Formula: C15H16CaNO5+ MolecularWeight: 330.36924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(C(=O)[O-])N.O.O.[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(C(=O)[O-])N.O.O.[Ca+2]

InChI

InChI=1S/C15H13NO3.Ca.2H2O/c16-13(15(18)19)11-7-4-8-12(9-11)14(17)10-5-2-1-3-6-10;;;/h1-9,13H,16H2,(H,18,19);;2*1H2/q;+2;;/p-1