2,4-bis(chloranyl)phenolate; [(E)-3-chloranylprop-2-enyl]-dodecyl-dimethyl-azanium

Systemtic Name: 2,4-bis(chloranyl)phenolate; [(E)-3-chloranylprop-2-enyl]-dodecyl-dimethyl-azanium Openeye Name: [(E)-3-chloroallyl]-dodecyl-dimethyl-ammonium; 2,4-dichlorophenolate CAS Name: [(E)-3-chloroprop-2-enyl]-dodecyl-dimethylammonium; 2,4-dichlorophenolate IUPAC Name: [(E)-3-chloroprop-2-enyl]-dodecyl-dimethylazanium; 2,4-dichlorophenolate Traditional Name: [(E)-3-chloroallyl]-lauryl-dimethyl-ammonium; 2,4-dichlorophenolate Formula: C23H38Cl3NO MolecularWeight: 450.91292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC=CCl.C1=CC(=C(C=C1Cl)Cl)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C/C=C/Cl.C1=CC(=C(C=C1Cl)Cl)[O-]

InChI

InChI=1S/C17H35ClN.C6H4Cl2O/c1-4-5-6-7-8-9-10-11-12-13-16-19(2,3)17-14-15-18;7-4-1-2-6(9)5(8)3-4/h14-15H,4-13,16-17H2,1-3H3;1-3,9H/q+1;/p-1/b15-14+;