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

Systemtic Name: (phenylmethyl) 4,6,6-trimethyl-2-(2,4,6-trimethylphenyl)carbonyl-heptanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)heptanoate Traditional Name: 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)enanthic acid benzyl ester Formula: C27H36O3 MolecularWeight: 408.57294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C(CC(C)CC(C)(C)C)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C(CC(C)CC(C)(C)C)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C27H36O3/c1-18-13-20(3)24(21(4)14-18)25(28)23(15-19(2)16-27(5,6)7)26(29)30-17-22-11-9-8-10-12-22/h8-14,19,23H,15-17H2,1-7H3