calcium (2S)-2-azanyl-3-(3-iodanyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: calcium (2S)-2-azanyl-3-(3-iodanyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: calcium (2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoic acid CAS Name: calcium (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid IUPAC Name: calcium (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid Traditional Name: calcium (2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic acid Formula: C9H10CaINO3+2 MolecularWeight: 347.16307

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)N)I)O.[Ca+2]

Isomeric SMILES

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

InChI

InChI=1S/C9H10INO3.Ca/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14;/h1-3,7,12H,4,11H2,(H,13,14);/q;+2/t7-;/m0./s1