4-(3,5-dimethylphenyl)-1-phosphonato-butan-2-one

Systemtic Name: 4-(3,5-dimethylphenyl)-1-phosphonato-butan-2-one Openeye Name: 4-(3,5-dimethylphenyl)-1-phosphonato-butan-2-one CAS Name: 4-(3,5-dimethylphenyl)-1-phosphonato-2-butanone IUPAC Name: 4-(3,5-dimethylphenyl)-1-phosphonatobutan-2-one Traditional Name: 4-(3,5-dimethylphenyl)-1-phosphonato-butan-2-one Formula: C12H15O4P-2 MolecularWeight: 254.218861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17O4P/c1-9-5-10(2)7-11(6-9)3-4-12(13)8-17(14,15)16/h5-7H,3-4,8H2,1-2H3,(H2,14,15,16)/p-2