2-ethylhexanoyl 4,6,6-trimethyl-2-phosphanyl-2-(2,4,6-trimethylphenyl)carbonyl-heptanoate

Systemtic Name: 2-ethylhexanoyl 4,6,6-trimethyl-2-phosphanyl-2-(2,4,6-trimethylphenyl)carbonyl-heptanoate Openeye Name: 2-ethylhexanoyl 4,6,6-trimethyl-2-phosphanyl-2-(2,4,6-trimethylbenzoyl)heptanoate CAS Name: 4,6,6-trimethyl-2-[oxo-(2,4,6-trimethylphenyl)methyl]-2-phosphinoheptanoic acid (2-ethyl-1-oxohexyl) ester IUPAC Name: 2-ethylhexanoyl 4,6,6-trimethyl-2-phosphanyl-2-(2,4,6-trimethylbenzoyl)heptanoate Traditional Name: 4,6,6-trimethyl-2-phosphino-2-(2,4,6-trimethylbenzoyl)enanthic acid 2-ethylhexanoyl ester Formula: C28H45O4P MolecularWeight: 476.628261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45O4P/c1-10-12-13-22(11-2)25(30)32-26(31)28(33,17-19(4)16-27(7,8)9)24(29)23-20(5)14-18(3)15-21(23)6/h14-15,19,22H,10-13,16-17,33H2,1-9H3