methyl(octyl)azanium; octane; sulfonatooxy sulfate

Systemtic Name: methyl(octyl)azanium; octane; sulfonatooxy sulfate Openeye Name: methyl(octyl)ammonium; octane; sulfonatooxy sulfate CAS Name: methyl(octyl)ammonium; octane; sulfonatooxy sulfate IUPAC Name: methyl(octyl)azanium; octane; sulfonatooxy sulfate Traditional Name: methyl(octyl)ammonium; n-octane; sulfato sulfate Formula: C50H116N2O8S2 MolecularWeight: 937.59464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC.CCCCCCCC.CCCCCCCC.CCCCCCCC.CCCCCCCC[NH2+]C.CCCCCCCC[NH2+]C.[O-]S(=O)(=O)OOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC.CCCCCCCC.CCCCCCCC.CCCCCCCC.CCCCCCCC[NH2+]C.CCCCCCCC[NH2+]C.[O-]S(=O)(=O)OOS(=O)(=O)[O-]

InChI

InChI=1S/2C9H21N.4C8H18.H2O8S2/c2*1-3-4-5-6-7-8-9-10-2;4*1-3-5-7-8-6-4-2;1-9(2,3)7-8-10(4,5)6/h2*10H,3-9H2,1-2H3;4*3-8H2,1-2H3;(H,1,2,3)(H,4,5,6)