N'-[2-bis(oxidanyl)phosphinothioyloxyethyl]propane-1,3-diamine trihydrate

Systemtic Name: N'-[2-bis(oxidanyl)phosphinothioyloxyethyl]propane-1,3-diamine trihydrate Openeye Name: N'-(2-dihydroxyphosphinothioyloxyethyl)propane-1,3-diamine trihydrate CAS Name: N'-(2-dihydroxyphosphinothioyloxyethyl)propane-1,3-diamine trihydrate IUPAC Name: N'-(2-dihydroxyphosphinothioyloxyethyl)propane-1,3-diamine trihydrate Traditional Name: 3-aminopropyl(2-dihydroxythiophosphoryloxyethyl)amine trihydrate Formula: C5H21N2O6PS MolecularWeight: 268.268801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CN)CNCCOP(=S)(O)O.O.O.O

Isomeric SMILES

C(CN)CNCCOP(=S)(O)O.O.O.O

InChI

InChI=1S/C5H15N2O3PS.3H2O/c6-2-1-3-7-4-5-10-11(8,9)12;;;/h7H,1-6H2,(H2,8,9,12);3*1H2