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

Systemtic Name: [[2-phenyl-3-(phenylmethyl)thiomorpholin-4-yl]-phosphono-methyl]phosphonic acid Openeye Name: [(3-benzyl-2-phenyl-thiomorpholin-4-yl)-phosphono-methyl]phosphonic acid CAS Name: [[2-phenyl-3-(phenylmethyl)-4-thiomorpholinyl]-phosphonomethyl]phosphonic acid IUPAC Name: [(3-benzyl-2-phenylthiomorpholin-4-yl)-phosphonomethyl]phosphonic acid Traditional Name: [(3-benzyl-2-phenyl-thiomorpholin-4-yl)-phosphono-methyl]phosphonic acid Formula: C18H23NO6P2S MolecularWeight: 443.390842

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(C(N1C(P(=O)(O)O)P(=O)(O)O)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CSC(C(N1C(P(=O)(O)O)P(=O)(O)O)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H23NO6P2S/c20-26(21,22)18(27(23,24)25)19-11-12-28-17(15-9-5-2-6-10-15)16(19)13-14-7-3-1-4-8-14/h1-10,16-18H,11-13H2,(H2,20,21,22)(H2,23,24,25)