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

Systemtic Name: 4-(4-dodecylphenyl)-4-oxidanylidene-butanoate; 2-methyldodecan-2-ylazanium Openeye Name: 1,1-dimethylundecylammonium; 4-(4-dodecylphenyl)-4-oxo-butanoate CAS Name: 4-(4-dodecylphenyl)-4-oxobutanoate; 2-methyldodecan-2-ylammonium IUPAC Name: 4-(4-dodecylphenyl)-4-oxobutanoate; 2-methyldodecan-2-ylazanium Traditional Name: 1,1-dimethylundecylammonium; 4-keto-4-(4-laurylphenyl)butyrate Formula: C35H63NO3 MolecularWeight: 545.87962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CCC(=O)[O-].CCCCCCCCCCC(C)(C)[NH3+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CCC(=O)[O-].CCCCCCCCCCC(C)(C)[NH3+]

InChI

InChI=1S/C22H34O3.C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(23)17-18-22(24)25;1-4-5-6-7-8-9-10-11-12-13(2,3)14/h13-16H,2-12,17-18H2,1H3,(H,24,25);4-12,14H2,1-3H3