[[3-(2-methylpropyl)thiomorpholin-4-yl]-phosphono-methyl]phosphonic acid

Systemtic Name: [[3-(2-methylpropyl)thiomorpholin-4-yl]-phosphono-methyl]phosphonic acid Openeye Name: [(3-isobutylthiomorpholin-4-yl)-phosphono-methyl]phosphonic acid CAS Name: [[3-(2-methylpropyl)-4-thiomorpholinyl]-phosphonomethyl]phosphonic acid IUPAC Name: [[3-(2-methylpropyl)thiomorpholin-4-yl]-phosphonomethyl]phosphonic acid Traditional Name: [(3-isobutylthiomorpholin-4-yl)-phosphono-methyl]phosphonic acid Formula: C9H21NO6P2S MolecularWeight: 333.278662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CSCCN1C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C)CC1CSCCN1C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H21NO6P2S/c1-7(2)5-8-6-19-4-3-10(8)9(17(11,12)13)18(14,15)16/h7-9H,3-6H2,1-2H3,(H2,11,12,13)(H2,14,15,16)