2-methyldodecan-2-ylazanium; (E)-6-(4-methylphenyl)-4-oxidanylidene-hex-5-enoate

Systemtic Name: 2-methyldodecan-2-ylazanium; (E)-6-(4-methylphenyl)-4-oxidanylidene-hex-5-enoate Openeye Name: 1,1-dimethylundecylammonium; (E)-4-oxo-6-(p-tolyl)hex-5-enoate CAS Name: 2-methyldodecan-2-ylammonium; (E)-6-(4-methylphenyl)-4-oxo-5-hexenoate IUPAC Name: 2-methyldodecan-2-ylazanium; (E)-6-(4-methylphenyl)-4-oxohex-5-enoate Traditional Name: 1,1-dimethylundecylammonium; (E)-4-keto-6-(p-tolyl)hex-5-enoate Formula: C26H43NO3 MolecularWeight: 417.62452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)(C)[NH3+].CC1=CC=C(C=C1)C=CC(=O)CCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCC(C)(C)[NH3+].CC1=CC=C(C=C1)/C=C/C(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H29N.C13H14O3/c1-4-5-6-7-8-9-10-11-12-13(2,3)14;1-10-2-4-11(5-3-10)6-7-12(14)8-9-13(15)16/h4-12,14H2,1-3H3;2-7H,8-9H2,1H3,(H,15,16)/b;7-6+