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

Systemtic Name: (E)-2-cyclooctyl-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]but-2-enedioate Openeye Name: (E)-2-cyclooctyl-3-[2-oxo-2-(p-tolyl)ethyl]but-2-enedioate CAS Name: (E)-2-cyclooctyl-3-[2-(4-methylphenyl)-2-oxoethyl]-2-butenedioate IUPAC Name: (E)-2-cyclooctyl-3-[2-(4-methylphenyl)-2-oxoethyl]but-2-enedioate Traditional Name: (E)-2-cyclooctyl-3-[2-keto-2-(p-tolyl)ethyl]but-2-enedioate Formula: C21H24O5-2 MolecularWeight: 356.41226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(=C(C2CCCCCCC2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C/C(=C(/C2CCCCCCC2)\C(=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C21H26O5/c1-14-9-11-15(12-10-14)18(22)13-17(20(23)24)19(21(25)26)16-7-5-3-2-4-6-8-16/h9-12,16H,2-8,13H2,1H3,(H,23,24)(H,25,26)/p-2/b19-17+