lithium 2-[[3-(tert-butylamino)-3-oxidanylidene-propyl]amino]ethylsulfanylphosphonic acid hydrate

Systemtic Name: lithium 2-[[3-(tert-butylamino)-3-oxidanylidene-propyl]amino]ethylsulfanylphosphonic acid hydrate Openeye Name: lithium 2-[[3-(tert-butylamino)-3-oxo-propyl]amino]ethylsulfanylphosphonic acid hydrate CAS Name: lithium [2-[[3-(tert-butylamino)-3-oxopropyl]amino]ethylthio]phosphonic acid hydrate IUPAC Name: lithium 2-[[3-(tert-butylamino)-3-oxopropyl]amino]ethylsulfanylphosphonic acid hydrate Traditional Name: lithium [2-[[3-(tert-butylamino)-3-keto-propyl]amino]ethylthio]phosphonic acid hydrate Formula: C9H23LiN2O5PS+ MolecularWeight: 309.269081

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC(C)(C)NC(=O)CCNCCSP(=O)(O)O.O

Isomeric SMILES

[Li+].CC(C)(C)NC(=O)CCNCCSP(=O)(O)O.O

InChI

InChI=1S/C9H21N2O4PS.Li.H2O/c1-9(2,3)11-8(12)4-5-10-6-7-17-16(13,14)15;;/h10H,4-7H2,1-3H3,(H,11,12)(H2,13,14,15);;1H2/q;+1;