1-[(E)-3-chloranyl-2-methyl-prop-2-enoyl]oxypropan-2-ylphosphonic acid

Systemtic Name: 1-[(E)-3-chloranyl-2-methyl-prop-2-enoyl]oxypropan-2-ylphosphonic acid Openeye Name: [2-[(E)-3-chloro-2-methyl-prop-2-enoyl]oxy-1-methyl-ethyl]phosphonic acid CAS Name: 1-[(E)-3-chloro-2-methyl-1-oxoprop-2-enoxy]propan-2-ylphosphonic acid IUPAC Name: 1-[(E)-3-chloro-2-methylprop-2-enoyl]oxypropan-2-ylphosphonic acid Traditional Name: [2-[(E)-3-chloro-2-methyl-acryloyl]oxy-1-methyl-ethyl]phosphonic acid Formula: C7H12ClO5P MolecularWeight: 242.593941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C(=CCl)C)P(=O)(O)O

Isomeric SMILES

CC(COC(=O)/C(=C/Cl)/C)P(=O)(O)O

InChI

InChI=1S/C7H12ClO5P/c1-5(3-8)7(9)13-4-6(2)14(10,11)12/h3,6H,4H2,1-2H3,(H2,10,11,12)/b5-3+