3-methyl-1-phenylmethoxy-3-phosphonato-butan-2-one

Systemtic Name: 3-methyl-1-phenylmethoxy-3-phosphonato-butan-2-one Openeye Name: 1-benzyloxy-3-methyl-3-phosphonato-butan-2-one CAS Name: 3-methyl-1-phenylmethoxy-3-phosphonato-2-butanone IUPAC Name: 3-methyl-1-phenylmethoxy-3-phosphonatobutan-2-one Traditional Name: 1-benzoxy-3-methyl-3-phosphonato-butan-2-one Formula: C12H15O5P-2 MolecularWeight: 270.218261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)COCC1=CC=CC=C1)P(=O)([O-])[O-]

Isomeric SMILES

CC(C)(C(=O)COCC1=CC=CC=C1)P(=O)([O-])[O-]

InChI

InChI=1S/C12H17O5P/c1-12(2,18(14,15)16)11(13)9-17-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,14,15,16)/p-2