3-methyl-1-phosphonato-oct-5-yn-2-one

Systemtic Name: 3-methyl-1-phosphonato-oct-5-yn-2-one Openeye Name: 3-methyl-1-phosphonato-oct-5-yn-2-one CAS Name: 3-methyl-1-phosphonato-5-octyn-2-one IUPAC Name: 3-methyl-1-phosphonatooct-5-yn-2-one Traditional Name: 3-methyl-1-phosphonato-oct-5-yn-2-one Formula: C9H13O4P-2 MolecularWeight: 216.170881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC(C)C(=O)CP(=O)([O-])[O-]

Isomeric SMILES

CCC#CCC(C)C(=O)CP(=O)([O-])[O-]

InChI

InChI=1S/C9H15O4P/c1-3-4-5-6-8(2)9(10)7-14(11,12)13/h8H,3,6-7H2,1-2H3,(H2,11,12,13)/p-2