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

Systemtic Name: [[3-(2-methylpropyl)-2-propan-2-yl-thiomorpholin-4-yl]-phosphono-methyl]phosphonic acid Openeye Name: [(3-isobutyl-2-isopropyl-thiomorpholin-4-yl)-phosphono-methyl]phosphonic acid CAS Name: [[3-(2-methylpropyl)-2-propan-2-yl-4-thiomorpholinyl]-phosphonomethyl]phosphonic acid IUPAC Name: [[3-(2-methylpropyl)-2-propan-2-ylthiomorpholin-4-yl]-phosphonomethyl]phosphonic acid Traditional Name: [(3-isobutyl-2-isopropyl-thiomorpholin-4-yl)-phosphono-methyl]phosphonic acid Formula: C12H27NO6P2S MolecularWeight: 375.358402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H27NO6P2S/c1-8(2)7-10-11(9(3)4)22-6-5-13(10)12(20(14,15)16)21(17,18)19/h8-12H,5-7H2,1-4H3,(H2,14,15,16)(H2,17,18,19)