2-methyldodecan-2-ylazanium; 4-naphthalen-2-yl-4-oxidanylidene-butanoate

Systemtic Name: 2-methyldodecan-2-ylazanium; 4-naphthalen-2-yl-4-oxidanylidene-butanoate Openeye Name: 1,1-dimethylundecylammonium; 4-(2-naphthyl)-4-oxo-butanoate CAS Name: 2-methyldodecan-2-ylammonium; 4-(2-naphthalenyl)-4-oxobutanoate IUPAC Name: 2-methyldodecan-2-ylazanium; 4-naphthalen-2-yl-4-oxobutanoate Traditional Name: 1,1-dimethylundecylammonium; 4-keto-4-(2-naphthyl)butyrate Formula: C27H41NO3 MolecularWeight: 427.61934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)(C)[NH3+].C1=CC=C2C=C(C=CC2=C1)C(=O)CCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCC(C)(C)[NH3+].C1=CC=C2C=C(C=CC2=C1)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C14H12O3.C13H29N/c15-13(7-8-14(16)17)12-6-5-10-3-1-2-4-11(10)9-12;1-4-5-6-7-8-9-10-11-12-13(2,3)14/h1-6,9H,7-8H2,(H,16,17);4-12,14H2,1-3H3