(1-ethoxy-3-ethyl-3-imidazol-1-yl-2-oxidanyl-1-oxidanylidene-pentan-2-yl)phosphonic acid

Systemtic Name: (1-ethoxy-3-ethyl-3-imidazol-1-yl-2-oxidanyl-1-oxidanylidene-pentan-2-yl)phosphonic acid Openeye Name: (1-ethoxycarbonyl-2-ethyl-1-hydroxy-2-imidazol-1-yl-butyl)phosphonic acid CAS Name: [1-ethoxy-3-ethyl-2-hydroxy-3-(1-imidazolyl)-1-oxopentan-2-yl]phosphonic acid IUPAC Name: (1-ethoxy-3-ethyl-2-hydroxy-3-imidazol-1-yl-1-oxopentan-2-yl)phosphonic acid Traditional Name: (1-carbethoxy-2-ethyl-1-hydroxy-2-imidazol-1-yl-butyl)phosphonic acid Formula: C12H21N2O6P MolecularWeight: 320.278701

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(C(=O)OCC)(O)P(=O)(O)O)N1C=CN=C1

Isomeric SMILES

CCC(CC)(C(C(=O)OCC)(O)P(=O)(O)O)N1C=CN=C1

InChI

InChI=1S/C12H21N2O6P/c1-4-11(5-2,14-8-7-13-9-14)12(16,21(17,18)19)10(15)20-6-3/h7-9,16H,4-6H2,1-3H3,(H2,17,18,19)