[3-[(E)-8-acetyloxy-2-ethyl-2-formamido-oct-3-enoyl]oxy-2,4-dimethyl-pentan-3-yl]phosphonic acid

Systemtic Name: [3-[(E)-8-acetyloxy-2-ethyl-2-formamido-oct-3-enoyl]oxy-2,4-dimethyl-pentan-3-yl]phosphonic acid Openeye Name: [1-[(E)-8-acetoxy-2-ethyl-2-formamido-oct-3-enoyl]oxy-1-isopropyl-2-methyl-propyl]phosphonic acid CAS Name: [3-[(E)-8-acetyloxy-2-ethyl-2-formamido-1-oxooct-3-enoxy]-2,4-dimethylpentan-3-yl]phosphonic acid IUPAC Name: [3-[(E)-8-acetyloxy-2-ethyl-2-formamidooct-3-enoyl]oxy-2,4-dimethylpentan-3-yl]phosphonic acid Traditional Name: [1-[(E)-8-acetoxy-2-ethyl-2-formamido-oct-3-enoyl]oxy-1-isopropyl-2-methyl-propyl]phosphonic acid Formula: C20H36NO8P MolecularWeight: 449.475501

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CCCCCOC(=O)C)(C(=O)OC(C(C)C)(C(C)C)P(=O)(O)O)NC=O

Isomeric SMILES

CCC(/C=C/CCCCOC(=O)C)(C(=O)OC(C(C)C)(C(C)C)P(=O)(O)O)NC=O

InChI

InChI=1S/C20H36NO8P/c1-7-19(21-14-22,12-10-8-9-11-13-28-17(6)23)18(24)29-20(15(2)3,16(4)5)30(25,26)27/h10,12,14-16H,7-9,11,13H2,1-6H3,(H,21,22)(H2,25,26,27)/b12-10+