2-azido-3-(hydroxymethyl)-3-oxidanyl-5-oxidanylidene-hexanoic acid

Systemtic Name: 2-azido-3-(hydroxymethyl)-3-oxidanyl-5-oxidanylidene-hexanoic acid Openeye Name: 2-azido-3-hydroxy-3-(hydroxymethyl)-5-oxo-hexanoic acid CAS Name: 2-azido-3-hydroxy-3-(hydroxymethyl)-5-oxohexanoic acid IUPAC Name: 2-azido-3-hydroxy-3-(hydroxymethyl)-5-oxohexanoic acid Traditional Name: 2-azido-3-hydroxy-5-keto-3-methylol-hexanoic acid Formula: C7H11N3O5 MolecularWeight: 217.17934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11N3O5/c1-4(12)2-7(15,3-11)5(6(13)14)9-10-8/h5,11,15H,2-3H2,1H3,(H,13,14)