2,4-dimethylpentan-3-yl 6,6-dimethyl-5-oxidanylidene-3-phenyl-heptanoate

Systemtic Name: 2,4-dimethylpentan-3-yl 6,6-dimethyl-5-oxidanylidene-3-phenyl-heptanoate Openeye Name: (1-isopropyl-2-methyl-propyl) 6,6-dimethyl-5-oxo-3-phenyl-heptanoate CAS Name: 6,6-dimethyl-5-oxo-3-phenylheptanoic acid 2,4-dimethylpentan-3-yl ester IUPAC Name: 2,4-dimethylpentan-3-yl 6,6-dimethyl-5-oxo-3-phenylheptanoate Traditional Name: 5-keto-6,6-dimethyl-3-phenyl-enanthic acid (1-isopropyl-2-methyl-propyl) ester Formula: C22H34O3 MolecularWeight: 346.50356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)OC(=O)CC(CC(=O)C(C)(C)C)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(C)C)OC(=O)CC(CC(=O)C(C)(C)C)C1=CC=CC=C1

InChI

InChI=1S/C22H34O3/c1-15(2)21(16(3)4)25-20(24)14-18(13-19(23)22(5,6)7)17-11-9-8-10-12-17/h8-12,15-16,18,21H,13-14H2,1-7H3