[(4-tert-butylsulfanylbutylamino)-phosphono-methyl]phosphonic acid

Systemtic Name: [(4-tert-butylsulfanylbutylamino)-phosphono-methyl]phosphonic acid Openeye Name: [(4-tert-butylsulfanylbutylamino)-phosphono-methyl]phosphonic acid CAS Name: [[4-(tert-butylthio)butylamino]-phosphonomethyl]phosphonic acid IUPAC Name: [(4-tert-butylsulfanylbutylamino)-phosphonomethyl]phosphonic acid Traditional Name: [[4-(tert-butylthio)butylamino]-phosphono-methyl]phosphonic acid Formula: C9H23NO6P2S MolecularWeight: 335.294542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCCCNC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C)(C)SCCCCNC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H23NO6P2S/c1-9(2,3)19-7-5-4-6-10-8(17(11,12)13)18(14,15)16/h8,10H,4-7H2,1-3H3,(H2,11,12,13)(H2,14,15,16)