[4-bromanyl-4-(2-cyclohexylphenoxy)-2,2-dimethyl-3-oxidanylidene-butyl] ethanoate

Systemtic Name: [4-bromanyl-4-(2-cyclohexylphenoxy)-2,2-dimethyl-3-oxidanylidene-butyl] ethanoate Openeye Name: [4-bromo-4-(2-cyclohexylphenoxy)-2,2-dimethyl-3-oxo-butyl] acetate CAS Name: acetic acid [4-bromo-4-(2-cyclohexylphenoxy)-2,2-dimethyl-3-oxobutyl] ester IUPAC Name: [4-bromo-4-(2-cyclohexylphenoxy)-2,2-dimethyl-3-oxobutyl] acetate Traditional Name: acetic acid [4-bromo-4-(2-cyclohexylphenoxy)-3-keto-2,2-dimethyl-butyl] ester Formula: C20H27BrO4 MolecularWeight: 411.32998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C)(C)C(=O)C(OC1=CC=CC=C1C2CCCCC2)Br

Isomeric SMILES

CC(=O)OCC(C)(C)C(=O)C(OC1=CC=CC=C1C2CCCCC2)Br

InChI

InChI=1S/C20H27BrO4/c1-14(22)24-13-20(2,3)18(23)19(21)25-17-12-8-7-11-16(17)15-9-5-4-6-10-15/h7-8,11-12,15,19H,4-6,9-10,13H2,1-3H3