[4-[(E)-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]phenyl]phosphonic acid

Systemtic Name: [4-[(E)-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]phenyl]phosphonic acid Openeye Name: [4-[(E)-3-isopropoxy-3-oxo-prop-1-enyl]phenyl]phosphonic acid CAS Name: [4-[(E)-3-oxo-3-propan-2-yloxyprop-1-enyl]phenyl]phosphonic acid IUPAC Name: [4-[(E)-3-oxo-3-propan-2-yloxyprop-1-enyl]phenyl]phosphonic acid Traditional Name: [4-[(E)-3-isopropoxy-3-keto-prop-1-enyl]phenyl]phosphonic acid Formula: C12H15O5P MolecularWeight: 270.218261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C=CC1=CC=C(C=C1)P(=O)(O)O

Isomeric SMILES

CC(C)OC(=O)/C=C/C1=CC=C(C=C1)P(=O)(O)O

InChI

InChI=1S/C12H15O5P/c1-9(2)17-12(13)8-5-10-3-6-11(7-4-10)18(14,15)16/h3-9H,1-2H3,(H2,14,15,16)/b8-5+