N'-[2-bis(oxidanyl)phosphinothioyloxyethyl]-N-octyl-ethane-1,2-diamine dihydrate

Systemtic Name: N'-[2-bis(oxidanyl)phosphinothioyloxyethyl]-N-octyl-ethane-1,2-diamine dihydrate Openeye Name: N'-(2-dihydroxyphosphinothioyloxyethyl)-N-octyl-ethane-1,2-diamine dihydrate CAS Name: N'-(2-dihydroxyphosphinothioyloxyethyl)-N-octylethane-1,2-diamine dihydrate IUPAC Name: N'-(2-dihydroxyphosphinothioyloxyethyl)-N-octylethane-1,2-diamine dihydrate Traditional Name: 2-dihydroxythiophosphoryloxyethyl-[2-(octylamino)ethyl]amine dihydrate Formula: C12H33N2O5PS MolecularWeight: 348.439581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCCNCCOP(=S)(O)O.O.O

Isomeric SMILES

CCCCCCCCNCCNCCOP(=S)(O)O.O.O

InChI

InChI=1S/C12H29N2O3PS.2H2O/c1-2-3-4-5-6-7-8-13-9-10-14-11-12-17-18(15,16)19;;/h13-14H,2-12H2,1H3,(H2,15,16,19);2*1H2