dodecyl-bis(2-hydroxyethyl)-(phenylmethyl)azanium; 2,3,4,5,6-pentakis(chloranyl)phenolate

Systemtic Name: dodecyl-bis(2-hydroxyethyl)-(phenylmethyl)azanium; 2,3,4,5,6-pentakis(chloranyl)phenolate Openeye Name: benzyl-dodecyl-bis(2-hydroxyethyl)ammonium; 2,3,4,5,6-pentachlorophenolate CAS Name: dodecyl-bis(2-hydroxyethyl)-(phenylmethyl)ammonium; 2,3,4,5,6-pentachlorophenolate IUPAC Name: benzyl-dodecyl-bis(2-hydroxyethyl)azanium; 2,3,4,5,6-pentachlorophenolate Traditional Name: benzyl-bis(2-hydroxyethyl)-lauryl-ammonium; 2,3,4,5,6-pentachlorophenolate Formula: C29H42Cl5NO3 MolecularWeight: 629.91368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-]

InChI

InChI=1S/C23H42NO2.C6HCl5O/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23;7-1-2(8)4(10)6(12)5(11)3(1)9/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3;12H/q+1;/p-1