[(3-butylthiomorpholin-4-yl)-phosphono-methyl]phosphonic acid

Systemtic Name: [(3-butylthiomorpholin-4-yl)-phosphono-methyl]phosphonic acid Openeye Name: [(3-butylthiomorpholin-4-yl)-phosphono-methyl]phosphonic acid CAS Name: [(3-butyl-4-thiomorpholinyl)-phosphonomethyl]phosphonic acid IUPAC Name: [(3-butylthiomorpholin-4-yl)-phosphonomethyl]phosphonic acid Traditional Name: [(3-butylthiomorpholin-4-yl)-phosphono-methyl]phosphonic acid Formula: C9H21NO6P2S MolecularWeight: 333.278662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CSCCN1C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCC1CSCCN1C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H21NO6P2S/c1-2-3-4-8-7-19-6-5-10(8)9(17(11,12)13)18(14,15)16/h8-9H,2-7H2,1H3,(H2,11,12,13)(H2,14,15,16)