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

Systemtic Name: [(2-butylthiomorpholin-4-yl)-phosphono-methyl]phosphonic acid Openeye Name: [(2-butylthiomorpholin-4-yl)-phosphono-methyl]phosphonic acid CAS Name: [(2-butyl-4-thiomorpholinyl)-phosphonomethyl]phosphonic acid IUPAC Name: [(2-butylthiomorpholin-4-yl)-phosphonomethyl]phosphonic acid Traditional Name: [(2-butylthiomorpholin-4-yl)-phosphono-methyl]phosphonic acid Formula: C9H21NO6P2S MolecularWeight: 333.278662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCS1)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCC1CN(CCS1)C(P(=O)(O)O)P(=O)(O)O

InChI

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