sulfonatooxy sulfate; triethyl-(phenylmethyl)azanium

Systemtic Name: sulfonatooxy sulfate; triethyl-(phenylmethyl)azanium Openeye Name: benzyl(triethyl)ammonium; sulfonatooxy sulfate CAS Name: sulfonatooxy sulfate; triethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(triethyl)azanium; sulfonatooxy sulfate Traditional Name: benzyl(triethyl)ammonium; sulfato sulfate Formula: C26H44N2O8S2 MolecularWeight: 576.76616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=CC=CC=C1.CC[N+](CC)(CC)CC1=CC=CC=C1.[O-]S(=O)(=O)OOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+](CC)(CC)CC1=CC=CC=C1.CC[N+](CC)(CC)CC1=CC=CC=C1.[O-]S(=O)(=O)OOS(=O)(=O)[O-]

InChI

InChI=1S/2C13H22N.H2O8S2/c2*1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;1-9(2,3)7-8-10(4,5)6/h2*7-11H,4-6,12H2,1-3H3;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2