(E)-2-(2-ethylhexyl)-3-(2-oxidanylidene-3-phenyl-propyl)but-2-enedioate

Systemtic Name: (E)-2-(2-ethylhexyl)-3-(2-oxidanylidene-3-phenyl-propyl)but-2-enedioate Openeye Name: (E)-2-(2-ethylhexyl)-3-(2-oxo-3-phenyl-propyl)but-2-enedioate CAS Name: (E)-2-(2-ethylhexyl)-3-(2-oxo-3-phenylpropyl)-2-butenedioate IUPAC Name: (E)-2-(2-ethylhexyl)-3-(2-oxo-3-phenylpropyl)but-2-enedioate Traditional Name: (E)-2-(2-ethylhexyl)-3-(2-keto-3-phenyl-propyl)but-2-enedioate Formula: C21H26O5-2 MolecularWeight: 358.42814

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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)/p-2/b19-18+