trioctyl(phenyl)azanium sulfate

Systemtic Name: trioctyl(phenyl)azanium sulfate Openeye Name: trioctyl(phenyl)ammonium sulfate CAS Name: trioctyl(phenyl)ammonium sulfate IUPAC Name: trioctyl(phenyl)azanium sulfate Traditional Name: trioctyl(phenyl)ammonium sulfate Formula: C30H56NO4S- MolecularWeight: 526.83494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)C1=CC=CC=C1.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)C1=CC=CC=C1.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C30H56N.H2O4S/c1-4-7-10-13-16-22-27-31(30-25-20-19-21-26-30,28-23-17-14-11-8-5-2)29-24-18-15-12-9-6-3;1-5(2,3)4/h19-21,25-26H,4-18,22-24,27-29H2,1-3H3;(H2,1,2,3,4)/q+1;/p-2