3-ethyl-2-methyl-1-phosphonato-pent-2-en-1-one

Systemtic Name: 3-ethyl-2-methyl-1-phosphonato-pent-2-en-1-one Openeye Name: 3-ethyl-2-methyl-1-phosphonato-pent-2-en-1-one CAS Name: 3-ethyl-2-methyl-1-phosphonato-2-penten-1-one IUPAC Name: 3-ethyl-2-methyl-1-phosphonatopent-2-en-1-one Traditional Name: 3-ethyl-2-methyl-1-phosphonato-pent-2-en-1-one Formula: C8H13O4P-2 MolecularWeight: 204.160181

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C)C(=O)P(=O)([O-])[O-])CC

Isomeric SMILES

CCC(=C(C)C(=O)P(=O)([O-])[O-])CC

InChI

InChI=1S/C8H15O4P/c1-4-7(5-2)6(3)8(9)13(10,11)12/h4-5H2,1-3H3,(H2,10,11,12)/p-2