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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(SCCN1C(P(=O)(O)O)P(=O)(O)O)C(C)C

Isomeric SMILES

CC1C(SCCN1C(P(=O)(O)O)P(=O)(O)O)C(C)C

InChI

InChI=1S/C9H21NO6P2S/c1-6(2)8-7(3)10(4-5-19-8)9(17(11,12)13)18(14,15)16/h6-9H,4-5H2,1-3H3,(H2,11,12,13)(H2,14,15,16)