tert-butylazanium; (4-methylsulfanyl-1-phosphonato-butyl)-bis(oxidanidyl)-oxidanylidene-$l^{5}-phosphane

Systemtic Name: tert-butylazanium; (4-methylsulfanyl-1-phosphonato-butyl)-bis(oxidanidyl)-oxidanylidene-$l^{5}-phosphane Openeye Name: tert-butylammonium; (4-methylsulfanyl-1-phosphonato-butyl)-dioxido-oxo-$l^{5}-phosphane CAS Name: tert-butylammonium; [4-(methylthio)-1-phosphonatobutyl]-dioxido-oxophosphorane IUPAC Name: tert-butylazanium; (4-methylsulfanyl-1-phosphonatobutyl)-dioxido-oxo-$l^{5}-phosphane Traditional Name: tert-butylammonium; keto-[4-(methylthio)-1-phosphonato-butyl]-dioxido-phosphorane Formula: C21H58N4O6P2S MolecularWeight: 556.720942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH3+].CC(C)(C)[NH3+].CC(C)(C)[NH3+].CC(C)(C)[NH3+].CSCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

CC(C)(C)[NH3+].CC(C)(C)[NH3+].CC(C)(C)[NH3+].CC(C)(C)[NH3+].CSCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C5H14O6P2S.4C4H11N/c1-14-4-2-3-5(12(6,7)8)13(9,10)11;4*1-4(2,3)5/h5H,2-4H2,1H3,(H2,6,7,8)(H2,9,10,11);4*5H2,1-3H3