[2-(acetyloxymethyl)-3-(phosphonatomethyl)phenyl]methyl ethanoate

Systemtic Name: [2-(acetyloxymethyl)-3-(phosphonatomethyl)phenyl]methyl ethanoate Openeye Name: [2-(acetoxymethyl)-3-(phosphonatomethyl)phenyl]methyl acetate CAS Name: acetic acid [2-(acetyloxymethyl)-3-(phosphonatomethyl)phenyl]methyl ester IUPAC Name: [2-(acetyloxymethyl)-3-(phosphonatomethyl)phenyl]methyl acetate Traditional Name: acetic acid [2-(acetoxymethyl)-3-(phosphonatomethyl)benzyl] ester Formula: C13H15O7P-2 MolecularWeight: 314.227761

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C(=CC=C1)CP(=O)([O-])[O-])COC(=O)C

Isomeric SMILES

CC(=O)OCC1=C(C(=CC=C1)CP(=O)([O-])[O-])COC(=O)C

InChI

InChI=1S/C13H17O7P/c1-9(14)19-6-11-4-3-5-12(8-21(16,17)18)13(11)7-20-10(2)15/h3-5H,6-8H2,1-2H3,(H2,16,17,18)/p-2