1-[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]oxyethanesulfonic acid

Systemtic Name: 1-[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]oxyethanesulfonic acid Openeye Name: 1-[(E)-4-ethoxy-4-oxo-but-2-enoyl]oxyethanesulfonic acid CAS Name: 1-[(E)-4-ethoxy-1,4-dioxobut-2-enoxy]ethanesulfonic acid IUPAC Name: 1-[(E)-4-ethoxy-4-oxobut-2-enoyl]oxyethanesulfonic acid Traditional Name: 1-[(E)-4-ethoxy-4-keto-but-2-enoyl]oxyethanesulfonic acid Formula: C8H12O7S MolecularWeight: 252.24168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OC(C)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OC(C)S(=O)(=O)O

InChI

InChI=1S/C8H12O7S/c1-3-14-7(9)4-5-8(10)15-6(2)16(11,12)13/h4-6H,3H2,1-2H3,(H,11,12,13)/b5-4+