sodium 2-nitro-1-phenyl-propane-1,3-diol

Systemtic Name: sodium 2-nitro-1-phenyl-propane-1,3-diol Openeye Name: sodium 2-nitro-1-phenyl-propane-1,3-diol CAS Name: sodium 2-nitro-1-phenylpropane-1,3-diol IUPAC Name: sodium 2-nitro-1-phenylpropane-1,3-diol Traditional Name: sodium 2-nitro-1-phenyl-propane-1,3-diol Formula: C9H11NNaO4+ MolecularWeight: 220.17771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO4.Na/c11-6-8(10(13)14)9(12)7-4-2-1-3-5-7;/h1-5,8-9,11-12H,6H2;/q;+1