pentyl 4,6,6-trimethyl-2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethanoyl]-2-phosphanyl-heptanoate

Systemtic Name: pentyl 4,6,6-trimethyl-2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethanoyl]-2-phosphanyl-heptanoate Openeye Name: pentyl 4,6,6-trimethyl-2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]-2-phosphanyl-heptanoate CAS Name: 2-[1,2-dioxo-2-(2,4,6-trimethylphenyl)ethyl]-4,6,6-trimethyl-2-phosphinoheptanoic acid pentyl ester IUPAC Name: pentyl 4,6,6-trimethyl-2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]-2-phosphanylheptanoate Traditional Name: 2-(2-keto-2-mesityl-acetyl)-4,6,6-trimethyl-2-phosphino-enanthic acid amyl ester Formula: C26H41O4P MolecularWeight: 448.575101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(CC(C)CC(C)(C)C)(C(=O)C(=O)C1=C(C=C(C=C1C)C)C)P

Isomeric SMILES

CCCCCOC(=O)C(CC(C)CC(C)(C)C)(C(=O)C(=O)C1=C(C=C(C=C1C)C)C)P

InChI

InChI=1S/C26H41O4P/c1-9-10-11-12-30-24(29)26(31,16-18(3)15-25(6,7)8)23(28)22(27)21-19(4)13-17(2)14-20(21)5/h13-14,18H,9-12,15-16,31H2,1-8H3