2-methyldodecan-2-ylazanium; 4-oxidanylidene-4-(2,3,5,6-tetramethylphenyl)butanoate

Systemtic Name: 2-methyldodecan-2-ylazanium; 4-oxidanylidene-4-(2,3,5,6-tetramethylphenyl)butanoate Openeye Name: 1,1-dimethylundecylammonium; 4-oxo-4-(2,3,5,6-tetramethylphenyl)butanoate CAS Name: 2-methyldodecan-2-ylammonium; 4-oxo-4-(2,3,5,6-tetramethylphenyl)butanoate IUPAC Name: 2-methyldodecan-2-ylazanium; 4-oxo-4-(2,3,5,6-tetramethylphenyl)butanoate Traditional Name: 1,1-dimethylundecylammonium; 4-keto-4-(2,3,5,6-tetramethylphenyl)butyrate Formula: C27H47NO3 MolecularWeight: 433.66698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)(C)[NH3+].CC1=CC(=C(C(=C1C)C(=O)CCC(=O)[O-])C)C

Isomeric SMILES

CCCCCCCCCCC(C)(C)[NH3+].CC1=CC(=C(C(=C1C)C(=O)CCC(=O)[O-])C)C

InChI

InChI=1S/C14H18O3.C13H29N/c1-8-7-9(2)11(4)14(10(8)3)12(15)5-6-13(16)17;1-4-5-6-7-8-9-10-11-12-13(2,3)14/h7H,5-6H2,1-4H3,(H,16,17);4-12,14H2,1-3H3