hexyl 4,6,6-trimethyl-2-(2,4,6-trimethylphenyl)carbonyl-heptanoate

Systemtic Name: hexyl 4,6,6-trimethyl-2-(2,4,6-trimethylphenyl)carbonyl-heptanoate Openeye Name: hexyl 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)heptanoate CAS Name: 4,6,6-trimethyl-2-[oxo-(2,4,6-trimethylphenyl)methyl]heptanoic acid hexyl ester IUPAC Name: hexyl 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)heptanoate Traditional Name: 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)enanthic acid hexyl ester Formula: C26H42O3 MolecularWeight: 402.60988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC(C)CC(C)(C)C)C(=O)C1=C(C=C(C=C1C)C)C

Isomeric SMILES

CCCCCCOC(=O)C(CC(C)CC(C)(C)C)C(=O)C1=C(C=C(C=C1C)C)C

InChI

InChI=1S/C26H42O3/c1-9-10-11-12-13-29-25(28)22(16-19(3)17-26(6,7)8)24(27)23-20(4)14-18(2)15-21(23)5/h14-15,19,22H,9-13,16-17H2,1-8H3