[2-(2,2-dimethylpropanoyloxymethyl)-3-phosphonooxy-phenyl]methyl 2,2-dimethylpropanoate

Systemtic Name: [2-(2,2-dimethylpropanoyloxymethyl)-3-phosphonooxy-phenyl]methyl 2,2-dimethylpropanoate Openeye Name: [2-(2,2-dimethylpropanoyloxymethyl)-3-phosphonooxy-phenyl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[(2,2-dimethyl-1-oxopropoxy)methyl]-3-phosphonooxyphenyl]methyl ester IUPAC Name: [2-(2,2-dimethylpropanoyloxymethyl)-3-phosphonooxyphenyl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-phosphonooxy-2-(pivaloyloxymethyl)benzyl] ester Formula: C18H27O8P MolecularWeight: 402.375941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1=C(C(=CC=C1)OP(=O)(O)O)COC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OCC1=C(C(=CC=C1)OP(=O)(O)O)COC(=O)C(C)(C)C

InChI

InChI=1S/C18H27O8P/c1-17(2,3)15(19)24-10-12-8-7-9-14(26-27(21,22)23)13(12)11-25-16(20)18(4,5)6/h7-9H,10-11H2,1-6H3,(H2,21,22,23)