2-oxidanyl-2-phenyl-ethanenitrile; 2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanoic acid

Systemtic Name: 2-oxidanyl-2-phenyl-ethanenitrile; 2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanoic acid Openeye Name: 2-hydroxy-2-phenyl-acetonitrile; 2,3,4,5-tetrahydroxy-6-oxo-hexanoic acid CAS Name: 2-hydroxy-2-phenylacetonitrile; 2,3,4,5-tetrahydroxy-6-oxohexanoic acid IUPAC Name: 2-hydroxy-2-phenylacetonitrile; 2,3,4,5-tetrahydroxy-6-oxohexanoic acid Traditional Name: 2-hydroxy-2-phenyl-acetonitrile; 2,3,4,5-tetrahydroxy-6-keto-hexanoic acid Formula: C14H17NO8 MolecularWeight: 327.28668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO.C6H10O7/c9-6-8(10)7-4-2-1-3-5-7;7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8,10H;1-5,8-11H,(H,12,13)