(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 5-bromanyl-2,3,4-trimethyl-benzoate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 5-bromanyl-2,3,4-trimethyl-benzoate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) 5-bromo-2,3,4-trimethyl-benzoate CAS Name: 5-bromo-2,3,4-trimethylbenzoic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) 5-bromo-2,3,4-trimethylbenzoate Traditional Name: 5-bromo-2,3,4-trimethyl-benzoic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C18H21BrO3 MolecularWeight: 365.26154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1C)Br)C(=O)OC2=CC(=O)CC(C2)(C)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1C)Br)C(=O)OC2=CC(=O)CC(C2)(C)C)C

InChI

InChI=1S/C18H21BrO3/c1-10-11(2)15(7-16(19)12(10)3)17(21)22-14-6-13(20)8-18(4,5)9-14/h6-7H,8-9H2,1-5H3