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

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

CC1=CC(=O)C(C(C1=O)Br)(C)C(C)(C)CC(=O)O

Isomeric SMILES

CC1=CC(=O)C(C(C1=O)Br)(C)C(C)(C)CC(=O)O

InChI

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