2-azanyl-3-oxidanyl-3-phenyl-propanenitrile; sulfuric acid

Systemtic Name: 2-azanyl-3-oxidanyl-3-phenyl-propanenitrile; sulfuric acid Openeye Name: 2-amino-3-hydroxy-3-phenyl-propanenitrile; sulfuric acid CAS Name: 2-amino-3-hydroxy-3-phenylpropanenitrile; sulfuric acid IUPAC Name: 2-amino-3-hydroxy-3-phenylpropanenitrile; sulfuric acid Traditional Name: 2-amino-3-hydroxy-3-phenyl-propionitrile; sulfuric acid Formula: C9H12N2O5S MolecularWeight: 260.26698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C#N)N)O.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(C#N)N)O.OS(=O)(=O)O

InChI

InChI=1S/C9H10N2O.H2O4S/c10-6-8(11)9(12)7-4-2-1-3-5-7;1-5(2,3)4/h1-5,8-9,12H,11H2;(H2,1,2,3,4)