(E)-2-(2-ethylhexyl)-3-(2-oxidanylidene-3-phenyl-propyl)but-2-enedioic acid

Systemtic Name: (E)-2-(2-ethylhexyl)-3-(2-oxidanylidene-3-phenyl-propyl)but-2-enedioic acid Openeye Name: (E)-2-(2-ethylhexyl)-3-(2-oxo-3-phenyl-propyl)but-2-enedioic acid CAS Name: (E)-2-(2-ethylhexyl)-3-(2-oxo-3-phenylpropyl)-2-butenedioic acid IUPAC Name: (E)-2-(2-ethylhexyl)-3-(2-oxo-3-phenylpropyl)but-2-enedioic acid Traditional Name: (E)-2-(2-ethylhexyl)-3-(2-keto-3-phenyl-propyl)but-2-enedioic acid Formula: C21H28O5 MolecularWeight: 360.44402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(=C(CC(=O)CC1=CC=CC=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC)C/C(=C(/CC(=O)CC1=CC=CC=C1)\C(=O)O)/C(=O)O

InChI

InChI=1S/C21H28O5/c1-3-5-9-15(4-2)13-18(20(23)24)19(21(25)26)14-17(22)12-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,23,24)(H,25,26)/b19-18+