N'-[3-bis(oxidanyl)phosphinothioyloxypropyl]butane-1,4-diamine dihydrate

Systemtic Name: N'-[3-bis(oxidanyl)phosphinothioyloxypropyl]butane-1,4-diamine dihydrate Openeye Name: N'-(3-dihydroxyphosphinothioyloxypropyl)butane-1,4-diamine dihydrate CAS Name: N'-(3-dihydroxyphosphinothioyloxypropyl)butane-1,4-diamine dihydrate IUPAC Name: N'-(3-dihydroxyphosphinothioyloxypropyl)butane-1,4-diamine dihydrate Traditional Name: 4-aminobutyl(3-dihydroxythiophosphoryloxypropyl)amine dihydrate Formula: C7H23N2O5PS MolecularWeight: 278.306681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H19N2O3PS.2H2O/c8-4-1-2-5-9-6-3-7-12-13(10,11)14;;/h9H,1-8H2,(H2,10,11,14);2*1H2