(E)-2-(2-ethylhexyl)-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]but-2-enedioate

Systemtic Name: (E)-2-(2-ethylhexyl)-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]but-2-enedioate Openeye Name: (E)-2-(2-ethylhexyl)-3-[2-oxo-2-(p-tolyl)ethyl]but-2-enedioate CAS Name: (E)-2-(2-ethylhexyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-2-butenedioate IUPAC Name: (E)-2-(2-ethylhexyl)-3-[2-(4-methylphenyl)-2-oxoethyl]but-2-enedioate Traditional Name: (E)-2-(2-ethylhexyl)-3-[2-keto-2-(p-tolyl)ethyl]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)C1=CC=C(C=C1)C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H28O5/c1-4-6-7-15(5-2)12-17(20(23)24)18(21(25)26)13-19(22)16-10-8-14(3)9-11-16/h8-11,15H,4-7,12-13H2,1-3H3,(H,23,24)(H,25,26)/p-2/b18-17+