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

Systemtic Name: [(3-hexyl-2-pentyl-thiomorpholin-4-yl)-phosphono-methyl]phosphonic acid Openeye Name: [(3-hexyl-2-pentyl-thiomorpholin-4-yl)-phosphono-methyl]phosphonic acid CAS Name: [(3-hexyl-2-pentyl-4-thiomorpholinyl)-phosphonomethyl]phosphonic acid IUPAC Name: [(3-hexyl-2-pentylthiomorpholin-4-yl)-phosphonomethyl]phosphonic acid Traditional Name: [(2-amyl-3-hexyl-thiomorpholin-4-yl)-phosphono-methyl]phosphonic acid Formula: C16H35NO6P2S MolecularWeight: 431.464722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(SCCN1C(P(=O)(O)O)P(=O)(O)O)CCCCC

Isomeric SMILES

CCCCCCC1C(SCCN1C(P(=O)(O)O)P(=O)(O)O)CCCCC

InChI

InChI=1S/C16H35NO6P2S/c1-3-5-7-9-10-14-15(11-8-6-4-2)26-13-12-17(14)16(24(18,19)20)25(21,22)23/h14-16H,3-13H2,1-2H3,(H2,18,19,20)(H2,21,22,23)