(2E,5E)-4-ethyl-4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]hepta-2,5-dienedioic acid

Systemtic Name: (2E,5E)-4-ethyl-4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]hepta-2,5-dienedioic acid Openeye Name: (2E,5E)-4-ethyl-4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]hepta-2,5-dienedioic acid CAS Name: (2E,5E)-4-ethyl-4-[(E)-3-hydroxy-3-oxoprop-1-enyl]hepta-2,5-dienedioic acid IUPAC Name: (2E,5E)-4-ethyl-4-[(E)-3-hydroxy-3-oxoprop-1-enyl]hepta-2,5-dienedioic acid Traditional Name: (2E,5E)-4-ethyl-4-[(E)-3-hydroxy-3-keto-prop-1-enyl]hepta-2,5-dienedioic acid Formula: C12H14O6 MolecularWeight: 254.23596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CC(=O)O)(C=CC(=O)O)C=CC(=O)O

Isomeric SMILES

CCC(/C=C/C(=O)O)(/C=C/C(=O)O)/C=C/C(=O)O

InChI

InChI=1S/C12H14O6/c1-2-12(6-3-9(13)14,7-4-10(15)16)8-5-11(17)18/h3-8H,2H2,1H3,(H,13,14)(H,15,16)(H,17,18)/b6-3+,7-4+,8-5+