tert-butyl 2-[[(4-butan-2-ylphenoxy)-methyl-phosphoryl]oxymethyl]-2-methyl-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl 2-[[(4-butan-2-ylphenoxy)-methyl-phosphoryl]oxymethyl]-2-methyl-3-oxidanylidene-butanoate Openeye Name: tert-butyl 2-methyl-2-[[methyl-(4-sec-butylphenoxy)phosphoryl]oxymethyl]-3-oxo-butanoate CAS Name: 2-[[(4-butan-2-ylphenoxy)-methylphosphoryl]oxymethyl]-2-methyl-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(4-butan-2-ylphenoxy)-methylphosphoryl]oxymethyl]-2-methyl-3-oxobutanoate Traditional Name: 3-keto-2-methyl-2-[[methyl-(4-sec-butylphenoxy)phosphoryl]oxymethyl]butyric acid tert-butyl ester Formula: C21H33O6P MolecularWeight: 412.456881

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OP(=O)(C)OCC(C)(C(=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OP(=O)(C)OCC(C)(C(=O)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33O6P/c1-9-15(2)17-10-12-18(13-11-17)27-28(8,24)25-14-21(7,16(3)22)19(23)26-20(4,5)6/h10-13,15H,9,14H2,1-8H3