sulfonatooxy sulfate; tributyl-(phenylmethyl)azanium

Systemtic Name: sulfonatooxy sulfate; tributyl-(phenylmethyl)azanium Openeye Name: benzyl(tributyl)ammonium; sulfonatooxy sulfate CAS Name: sulfonatooxy sulfate; tributyl-(phenylmethyl)ammonium IUPAC Name: benzyl(tributyl)azanium; sulfonatooxy sulfate Traditional Name: benzyl(tributyl)ammonium; sulfato sulfate Formula: C38H68N2O8S2 MolecularWeight: 745.08512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H34N.H2O8S2/c2*1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;1-9(2,3)7-8-10(4,5)6/h2*10-14H,4-9,15-18H2,1-3H3;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2