3-[(E)-4-oxidanylidene-4-propan-2-yloxy-but-2-enoyl]oxypentan-3-ylphosphonic acid

Systemtic Name: 3-[(E)-4-oxidanylidene-4-propan-2-yloxy-but-2-enoyl]oxypentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[(E)-4-isopropoxy-4-oxo-but-2-enoyl]oxy-propyl]phosphonic acid CAS Name: 3-[(E)-1,4-dioxo-4-propan-2-yloxybut-2-enoxy]pentan-3-ylphosphonic acid IUPAC Name: 3-[(E)-4-oxo-4-propan-2-yloxybut-2-enoyl]oxypentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[(E)-4-isopropoxy-4-keto-but-2-enoyl]oxy-propyl]phosphonic acid Formula: C12H21O7P MolecularWeight: 308.264701

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OC(=O)C=CC(=O)OC(C)C)P(=O)(O)O

Isomeric SMILES

CCC(CC)(OC(=O)/C=C/C(=O)OC(C)C)P(=O)(O)O

InChI

InChI=1S/C12H21O7P/c1-5-12(6-2,20(15,16)17)19-11(14)8-7-10(13)18-9(3)4/h7-9H,5-6H2,1-4H3,(H2,15,16,17)/b8-7+