2,2-diphosphonoethyl-methyl-octadecyl-sulfanium

Systemtic Name: 2,2-diphosphonoethyl-methyl-octadecyl-sulfanium Openeye Name: 2,2-diphosphonoethyl-methyl-octadecyl-sulfonium CAS Name: 2,2-diphosphonoethyl-methyl-octadecylsulfonium IUPAC Name: 2,2-diphosphonoethyl-methyl-octadecylsulfanium Traditional Name: 2,2-diphosphonoethyl-methyl-stearyl-sulfonium Formula: C21H47O6P2S+ MolecularWeight: 489.606802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[S+](C)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[S+](C)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C21H46O6P2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(2)20-21(28(22,23)24)29(25,26)27/h21H,3-20H2,1-2H3,(H3-,22,23,24,25,26,27)/p+1