2-methyldodecan-2-ylazanium; 4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: 2-methyldodecan-2-ylazanium; 4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: 1,1-dimethylundecylammonium; 4-oxo-4-(p-tolyl)butanoate CAS Name: 2-methyldodecan-2-ylammonium; 4-(4-methylphenyl)-4-oxobutanoate IUPAC Name: 2-methyldodecan-2-ylazanium; 4-(4-methylphenyl)-4-oxobutanoate Traditional Name: 1,1-dimethylundecylammonium; 4-keto-4-(p-tolyl)butyrate Formula: C24H41NO3 MolecularWeight: 391.58724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H29N.C11H12O3/c1-4-5-6-7-8-9-10-11-12-13(2,3)14;1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h4-12,14H2,1-3H3;2-5H,6-7H2,1H3,(H,13,14)