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2-methylpropanoyloxymethyl 3-(phosphonooxymethyl)benzoate

2-methylpropanoyloxymethyl 3-(phosphonooxymethyl)benzoate

Systemtic Name:2-methylpropanoyloxymethyl 3-(phosphonooxymethyl)benzoate
Openeye Name:2-methylpropanoyloxymethyl 3-(phosphonooxymethyl)benzoate
CAS Name:3-(phosphonooxymethyl)benzoic acid (2-methyl-1-oxopropoxy)methyl ester
IUPAC Name:2-methylpropanoyloxymethyl 3-(phosphonooxymethyl)benzoate
Traditional Name:3-(phosphonooxymethyl)benzoic acid isobutyryloxymethyl ester
Formula: C13H17O8P
MolecularWeight: 332.243041
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCOC(=O)C1=CC(=CC=C1)COP(=O)(O)O


Isomeric SMILES

CC(C)C(=O)OCOC(=O)C1=CC(=CC=C1)COP(=O)(O)O


InChI

InChI=1S/C13H17O8P/c1-9(2)12(14)19-8-20-13(15)11-5-3-4-10(6-11)7-21-22(16,17)18/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18)


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