[bis(chloranyl)-phenyl-methyl]-dodecyl-dimethyl-azanium; 2-tert-butylphenolate

Systemtic Name: [bis(chloranyl)-phenyl-methyl]-dodecyl-dimethyl-azanium; 2-tert-butylphenolate Openeye Name: 2-tert-butylphenolate; [dichloro(phenyl)methyl]-dodecyl-dimethyl-ammonium CAS Name: 2-tert-butylphenolate; [dichloro(phenyl)methyl]-dodecyl-dimethylammonium IUPAC Name: 2-tert-butylphenolate; [dichloro(phenyl)methyl]-dodecyl-dimethylazanium Traditional Name: 2-tert-butylphenolate; [dichloro(phenyl)methyl]-lauryl-dimethyl-ammonium Formula: C31H49Cl2NO MolecularWeight: 522.63286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)C(C1=CC=CC=C1)(Cl)Cl.CC(C)(C)C1=CC=CC=C1[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C(C1=CC=CC=C1)(Cl)Cl.CC(C)(C)C1=CC=CC=C1[O-]

InChI

InChI=1S/C21H36Cl2N.C10H14O/c1-4-5-6-7-8-9-10-11-12-16-19-24(2,3)21(22,23)20-17-14-13-15-18-20;1-10(2,3)8-6-4-5-7-9(8)11/h13-15,17-18H,4-12,16,19H2,1-3H3;4-7,11H,1-3H3/q+1;/p-1