2,4,4-trimethylpentyl 2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethanoyl]-2-phosphanyl-hexanoate

Systemtic Name: 2,4,4-trimethylpentyl 2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethanoyl]-2-phosphanyl-hexanoate Openeye Name: 2,4,4-trimethylpentyl 2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]-2-phosphanyl-hexanoate CAS Name: 2-[1,2-dioxo-2-(2,4,6-trimethylphenyl)ethyl]-2-phosphinohexanoic acid 2,4,4-trimethylpentyl ester IUPAC Name: 2,4,4-trimethylpentyl 2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]-2-phosphanylhexanoate Traditional Name: 2-(2-keto-2-mesityl-acetyl)-2-phosphino-hexanoic acid 2,4,4-trimethylpentyl ester Formula: C25H39O4P MolecularWeight: 434.548521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(=O)C1=C(C=C(C=C1C)C)C)(C(=O)OCC(C)CC(C)(C)C)P

Isomeric SMILES

CCCCC(C(=O)C(=O)C1=C(C=C(C=C1C)C)C)(C(=O)OCC(C)CC(C)(C)C)P

InChI

InChI=1S/C25H39O4P/c1-9-10-11-25(30,23(28)29-15-17(3)14-24(6,7)8)22(27)21(26)20-18(4)12-16(2)13-19(20)5/h12-13,17H,9-11,14-15,30H2,1-8H3