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

Systemtic Name: [(2,2-dimethyl-3-phenyl-thiomorpholin-4-yl)-phosphono-methyl]phosphonic acid Openeye Name: [(2,2-dimethyl-3-phenyl-thiomorpholin-4-yl)-phosphono-methyl]phosphonic acid CAS Name: [(2,2-dimethyl-3-phenyl-4-thiomorpholinyl)-phosphonomethyl]phosphonic acid IUPAC Name: [(2,2-dimethyl-3-phenylthiomorpholin-4-yl)-phosphonomethyl]phosphonic acid Traditional Name: [(2,2-dimethyl-3-phenyl-thiomorpholin-4-yl)-phosphono-methyl]phosphonic acid Formula: C13H21NO6P2S MolecularWeight: 381.321462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)C(P(=O)(O)O)P(=O)(O)O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(C(N(CCS1)C(P(=O)(O)O)P(=O)(O)O)C2=CC=CC=C2)C

InChI

InChI=1S/C13H21NO6P2S/c1-13(2)11(10-6-4-3-5-7-10)14(8-9-23-13)12(21(15,16)17)22(18,19)20/h3-7,11-12H,8-9H2,1-2H3,(H2,15,16,17)(H2,18,19,20)