3-[1-bromanyl-4,6-dimethyl-2,5-bis(oxidanylidene)cyclohex-3-en-1-yl]-3-methyl-butanoic acid

Systemtic Name: 3-[1-bromanyl-4,6-dimethyl-2,5-bis(oxidanylidene)cyclohex-3-en-1-yl]-3-methyl-butanoic acid Openeye Name: 3-(1-bromo-4,6-dimethyl-2,5-dioxo-cyclohex-3-en-1-yl)-3-methyl-butanoic acid CAS Name: 3-(1-bromo-4,6-dimethyl-2,5-dioxo-1-cyclohex-3-enyl)-3-methylbutanoic acid IUPAC Name: 3-(1-bromo-4,6-dimethyl-2,5-dioxocyclohex-3-en-1-yl)-3-methylbutanoic acid Traditional Name: 3-(1-bromo-2,5-diketo-4,6-dimethyl-cyclohex-3-en-1-yl)-3-methyl-butyric acid Formula: C13H17BrO4 MolecularWeight: 317.17568

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(=CC(=O)C1(C(C)(C)CC(=O)O)Br)C

Isomeric SMILES

CC1C(=O)C(=CC(=O)C1(C(C)(C)CC(=O)O)Br)C

InChI

InChI=1S/C13H17BrO4/c1-7-5-9(15)13(14,8(2)11(7)18)12(3,4)6-10(16)17/h5,8H,6H2,1-4H3,(H,16,17)