1-phenylicosylsulfanium sulfate

Systemtic Name: 1-phenylicosylsulfanium sulfate Openeye Name: 1-phenylicosylsulfonium sulfate CAS Name: 1-phenyleicosylsulfonium sulfate IUPAC Name: 1-phenylicosylsulfanium sulfate Traditional Name: 1-phenyleicosylsulfonium sulfate Formula: C26H47O4S2- MolecularWeight: 487.77898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(C1=CC=CC=C1)[SH2+].[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(C1=CC=CC=C1)[SH2+].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C26H46S.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(27)25-22-19-18-20-23-25;1-5(2,3)4/h18-20,22-23,26-27H,2-17,21,24H2,1H3;(H2,1,2,3,4)/p-1