3-bis(oxidanyl)phosphinothioyloxy-2-octadecoxy-propan-1-ol

Systemtic Name: 3-bis(oxidanyl)phosphinothioyloxy-2-octadecoxy-propan-1-ol Openeye Name: 3-dihydroxyphosphinothioyloxy-2-octadecoxy-propan-1-ol CAS Name: 3-dihydroxyphosphinothioyloxy-2-octadecoxy-1-propanol IUPAC Name: 3-dihydroxyphosphinothioyloxy-2-octadecoxypropan-1-ol Traditional Name: 3-dihydroxythiophosphoryloxy-2-stearyloxy-propan-1-ol Formula: C21H45O5PS MolecularWeight: 440.617761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(CO)COP(=S)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(CO)COP(=S)(O)O

InChI

InChI=1S/C21H45O5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21(19-22)20-26-27(23,24)28/h21-22H,2-20H2,1H3,(H2,23,24,28)