sodium (E)-4-octoxy-4-oxidanylidene-but-2-enoate

Systemtic Name: sodium (E)-4-octoxy-4-oxidanylidene-but-2-enoate Openeye Name: sodium (E)-4-octoxy-4-oxo-but-2-enoate CAS Name: sodium (E)-4-octoxy-4-oxo-2-butenoate IUPAC Name: sodium (E)-4-octoxy-4-oxobut-2-enoate Traditional Name: sodium (E)-4-keto-4-octoxy-but-2-enoate Formula: C12H19NaO4 MolecularWeight: 250.26663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C=CC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCOC(=O)/C=C/C(=O)[O-].[Na+]

InChI

InChI=1S/C12H20O4.Na/c1-2-3-4-5-6-7-10-16-12(15)9-8-11(13)14;/h8-9H,2-7,10H2,1H3,(H,13,14);/q;+1/p-1/b9-8+;