sodium; 2-azanyl-2-[3-(phenylcarbonyl)phenyl]ethanoate; methane; hydrate

Systemtic Name: sodium; 2-azanyl-2-[3-(phenylcarbonyl)phenyl]ethanoate; methane; hydrate Openeye Name: sodium; 2-amino-2-(3-benzoylphenyl)acetate; methane; hydrate CAS Name: sodium; 2-amino-2-(3-benzoylphenyl)acetate; methane; hydrate IUPAC Name: sodium; 2-amino-2-(3-benzoylphenyl)acetate; methane; hydrate Traditional Name: sodium; 2-amino-2-(3-benzoylphenyl)acetate; methane; hydrate Formula: C16H18NNaO4 MolecularWeight: 311.30819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO3.CH4.Na.H2O/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);1H4;;1H2/q;;+1;/p-1