benzene; dimethyl-(3-octadecoxy-2-oxidanyl-propyl)-octadecyl-azanium; hydrogen sulfate

Systemtic Name: benzene; dimethyl-(3-octadecoxy-2-oxidanyl-propyl)-octadecyl-azanium; hydrogen sulfate Openeye Name: benzene; hydrogen sulfate; (2-hydroxy-3-octadecoxy-propyl)-dimethyl-octadecyl-ammonium CAS Name: benzene; hydrogen sulfate; (2-hydroxy-3-octadecoxypropyl)-dimethyl-octadecylammonium IUPAC Name: benzene; hydrogen sulfate; (2-hydroxy-3-octadecoxypropyl)-dimethyl-octadecylazanium Traditional Name: benzene; (2-hydroxy-3-stearyloxy-propyl)-dimethyl-stearyl-ammonium; bisulfate Formula: C47H93NO6S MolecularWeight: 800.30942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(COCCCCCCCCCCCCCCCCCC)O.C1=CC=CC=C1.OS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(COCCCCCCCCCCCCCCCCCC)O.C1=CC=CC=C1.OS(=O)(=O)[O-]

InChI

InChI=1S/C41H86NO2.C6H6.H2O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(3,4)39-41(43)40-44-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-2-4-6-5-3-1;1-5(2,3)4/h41,43H,5-40H2,1-4H3;1-6H;(H2,1,2,3,4)/q+1;;/p-1