sodium (2S,3S)-3-(4-hydroxyphenyl)aziridine-2-carboxylate

Systemtic Name: sodium (2S,3S)-3-(4-hydroxyphenyl)aziridine-2-carboxylate Openeye Name: sodium (2S,3S)-3-(4-hydroxyphenyl)aziridine-2-carboxylate CAS Name: sodium (2S,3S)-3-(4-hydroxyphenyl)-2-aziridinecarboxylate IUPAC Name: sodium (2S,3S)-3-(4-hydroxyphenyl)aziridine-2-carboxylate Traditional Name: sodium (2S,3S)-3-(4-hydroxyphenyl)ethylenimine-2-carboxylate Formula: C9H8NNaO3 MolecularWeight: 201.15449

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(N2)C(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1[C@H]2[C@H](N2)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C9H9NO3.Na/c11-6-3-1-5(2-4-6)7-8(10-7)9(12)13;/h1-4,7-8,10-11H,(H,12,13);/q;+1/p-1/t7-,8-;/m0./s1