calcium 2-azanyl-2-(3-iodanyl-4-oxidanyl-phenyl)ethanoate

Systemtic Name: calcium 2-azanyl-2-(3-iodanyl-4-oxidanyl-phenyl)ethanoate Openeye Name: calcium 2-amino-2-(4-hydroxy-3-iodo-phenyl)acetate CAS Name: calcium 2-amino-2-(4-hydroxy-3-iodophenyl)acetate IUPAC Name: calcium 2-amino-2-(4-hydroxy-3-iodophenyl)acetate Traditional Name: calcium 2-amino-2-(4-hydroxy-3-iodo-phenyl)acetate Formula: C8H7CaINO3+ MolecularWeight: 332.12855

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C(=O)[O-])N)I)O.[Ca+2]

Isomeric SMILES

C1=CC(=C(C=C1C(C(=O)[O-])N)I)O.[Ca+2]

InChI

InChI=1S/C8H8INO3.Ca/c9-5-3-4(1-2-6(5)11)7(10)8(12)13;/h1-3,7,11H,10H2,(H,12,13);/q;+2/p-1