N'-[2-bis(oxidanyl)phosphinothioyloxyethyl]-N-methyl-butane-1,4-diamine tetrahydrate

Systemtic Name: N'-[2-bis(oxidanyl)phosphinothioyloxyethyl]-N-methyl-butane-1,4-diamine tetrahydrate Openeye Name: N'-(2-dihydroxyphosphinothioyloxyethyl)-N-methyl-butane-1,4-diamine tetrahydrate CAS Name: N'-(2-dihydroxyphosphinothioyloxyethyl)-N-methylbutane-1,4-diamine tetrahydrate IUPAC Name: N'-(2-dihydroxyphosphinothioyloxyethyl)-N-methylbutane-1,4-diamine tetrahydrate Traditional Name: 2-dihydroxythiophosphoryloxyethyl-[4-(methylamino)butyl]amine tetrahydrate Formula: C7H27N2O7PS MolecularWeight: 314.337241

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCNCCOP(=S)(O)O.O.O.O.O

Isomeric SMILES

CNCCCCNCCOP(=S)(O)O.O.O.O.O

InChI

InChI=1S/C7H19N2O3PS.4H2O/c1-8-4-2-3-5-9-6-7-12-13(10,11)14;;;;/h8-9H,2-7H2,1H3,(H2,10,11,14);4*1H2