butanoate; (E)-4-ethoxy-4-oxidanylidene-but-2-enoate

Systemtic Name: butanoate; (E)-4-ethoxy-4-oxidanylidene-but-2-enoate Openeye Name: butanoate; (E)-4-ethoxy-4-oxo-but-2-enoate CAS Name: butanoate; (E)-4-ethoxy-4-oxo-2-butenoate IUPAC Name: butanoate; (E)-4-ethoxy-4-oxobut-2-enoate Traditional Name: butyrate; (E)-4-ethoxy-4-keto-but-2-enoate Formula: C10H14O6-2 MolecularWeight: 230.21456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[O-].CCOC(=O)C=CC(=O)[O-]

Isomeric SMILES

CCCC(=O)[O-].CCOC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C6H8O4.C4H8O2/c1-2-10-6(9)4-3-5(7)8;1-2-3-4(5)6/h3-4H,2H2,1H3,(H,7,8);2-3H2,1H3,(H,5,6)/p-2/b4-3+;