2-methyldodecan-2-ylazanium; 4-oxidanylidene-4-(2,4,6-trimethylphenyl)butanoate

Systemtic Name: 2-methyldodecan-2-ylazanium; 4-oxidanylidene-4-(2,4,6-trimethylphenyl)butanoate Openeye Name: 1,1-dimethylundecylammonium; 4-oxo-4-(2,4,6-trimethylphenyl)butanoate CAS Name: 2-methyldodecan-2-ylammonium; 4-oxo-4-(2,4,6-trimethylphenyl)butanoate IUPAC Name: 2-methyldodecan-2-ylazanium; 4-oxo-4-(2,4,6-trimethylphenyl)butanoate Traditional Name: 1,1-dimethylundecylammonium; 4-keto-4-mesityl-butyrate Formula: C26H45NO3 MolecularWeight: 419.6404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H29N.C13H16O3/c1-4-5-6-7-8-9-10-11-12-13(2,3)14;1-8-6-9(2)13(10(3)7-8)11(14)4-5-12(15)16/h4-12,14H2,1-3H3;6-7H,4-5H2,1-3H3,(H,15,16)