ethyl 3-[(4-ethoxy-4-oxidanylidene-butan-2-yl)oxy-oxidanyl-phosphoryl]oxybutanoate

Systemtic Name: ethyl 3-[(4-ethoxy-4-oxidanylidene-butan-2-yl)oxy-oxidanyl-phosphoryl]oxybutanoate Openeye Name: ethyl 3-[(3-ethoxy-1-methyl-3-oxo-propoxy)-hydroxy-phosphoryl]oxybutanoate CAS Name: 3-[(4-ethoxy-4-oxobutan-2-yl)oxy-hydroxyphosphoryl]oxybutanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)oxy-hydroxyphosphoryl]oxybutanoate Traditional Name: 3-[(3-ethoxy-3-keto-1-methyl-propoxy)-hydroxy-phosphoryl]oxybutyric acid ethyl ester Formula: C12H23O8P MolecularWeight: 326.279981

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)OP(=O)(O)OC(C)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CC(C)OP(=O)(O)OC(C)CC(=O)OCC

InChI

InChI=1S/C12H23O8P/c1-5-17-11(13)7-9(3)19-21(15,16)20-10(4)8-12(14)18-6-2/h9-10H,5-8H2,1-4H3,(H,15,16)