2-methylpropanoyloxymethyl 4-phosphonooxybenzoate

Systemtic Name: 2-methylpropanoyloxymethyl 4-phosphonooxybenzoate Openeye Name: 2-methylpropanoyloxymethyl 4-phosphonooxybenzoate CAS Name: 4-phosphonooxybenzoic acid (2-methyl-1-oxopropoxy)methyl ester IUPAC Name: 2-methylpropanoyloxymethyl 4-phosphonooxybenzoate Traditional Name: 4-phosphonooxybenzoic acid isobutyryloxymethyl ester Formula: C12H15O8P MolecularWeight: 318.216461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15O8P/c1-8(2)11(13)18-7-19-12(14)9-3-5-10(6-4-9)20-21(15,16)17/h3-6,8H,7H2,1-2H3,(H2,15,16,17)