2,3,4,5,6-pentakis(chloranyl)phenolate; trimethyl(octadecyl)azanium

Systemtic Name: 2,3,4,5,6-pentakis(chloranyl)phenolate; trimethyl(octadecyl)azanium Openeye Name: 2,3,4,5,6-pentachlorophenolate; trimethyl(octadecyl)ammonium CAS Name: 2,3,4,5,6-pentachlorophenolate; trimethyl(octadecyl)ammonium IUPAC Name: 2,3,4,5,6-pentachlorophenolate; trimethyl(octadecyl)azanium Traditional Name: 2,3,4,5,6-pentachlorophenolate; trimethyl(stearyl)ammonium Formula: C27H46Cl5NO MolecularWeight: 577.92524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-]

InChI

InChI=1S/C21H46N.C6HCl5O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;7-1-2(8)4(10)6(12)5(11)3(1)9/h5-21H2,1-4H3;12H/q+1;/p-1