methyl 4-[(E)-2-methyl-3-phosphonato-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-2-methyl-3-phosphonato-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-methyl-3-phosphonato-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-methyl-3-phosphonatoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-methyl-3-phosphonatoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-methyl-3-phosphonato-prop-1-enyl]benzoic acid methyl ester Formula: C12H13O5P-2 MolecularWeight: 268.202381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\C1=CC=C(C=C1)C(=O)OC)/CP(=O)([O-])[O-]

InChI

InChI=1S/C12H15O5P/c1-9(8-18(14,15)16)7-10-3-5-11(6-4-10)12(13)17-2/h3-7H,8H2,1-2H3,(H2,14,15,16)/p-2/b9-7+