(E)-2-ethyl-3-(2-oxidanylidene-3-phenyl-butyl)but-2-enedioate

Systemtic Name: (E)-2-ethyl-3-(2-oxidanylidene-3-phenyl-butyl)but-2-enedioate Openeye Name: (E)-2-ethyl-3-(2-oxo-3-phenyl-butyl)but-2-enedioate CAS Name: (E)-2-ethyl-3-(2-oxo-3-phenylbutyl)-2-butenedioate IUPAC Name: (E)-2-ethyl-3-(2-oxo-3-phenylbutyl)but-2-enedioate Traditional Name: (E)-2-ethyl-3-(2-keto-3-phenyl-butyl)but-2-enedioate Formula: C16H16O5-2 MolecularWeight: 288.29524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(CC(=O)C(C)C1=CC=CC=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC/C(=C(/CC(=O)C(C)C1=CC=CC=C1)\C(=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C16H18O5/c1-3-12(15(18)19)13(16(20)21)9-14(17)10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,18,19)(H,20,21)/p-2/b13-12+