1-(3,5-dimethylphenyl)-3-phosphonato-propan-2-one

Systemtic Name: 1-(3,5-dimethylphenyl)-3-phosphonato-propan-2-one Openeye Name: 1-(3,5-dimethylphenyl)-3-phosphonato-propan-2-one CAS Name: 1-(3,5-dimethylphenyl)-3-phosphonato-2-propanone IUPAC Name: 1-(3,5-dimethylphenyl)-3-phosphonatopropan-2-one Traditional Name: 1-(3,5-dimethylphenyl)-3-phosphonato-acetone Formula: C11H13O4P-2 MolecularWeight: 240.192281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC(=O)CP(=O)([O-])[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)CC(=O)CP(=O)([O-])[O-])C

InChI

InChI=1S/C11H15O4P/c1-8-3-9(2)5-10(4-8)6-11(12)7-16(13,14)15/h3-5H,6-7H2,1-2H3,(H2,13,14,15)/p-2