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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(CC)COC(=O)/C=C/C(=O)[O-].[Na+]

InChI

InChI=1S/C12H20O4.Na/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;/h7-8,10H,3-6,9H2,1-2H3,(H,13,14);/q;+1/p-1/b8-7+;