2-[(4-bromophenyl)-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]cyclohexane-1,3-dione

Systemtic Name: 2-[(4-bromophenyl)-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]cyclohexane-1,3-dione Openeye Name: 2-[(4-bromophenyl)-(2-hydroxy-6-oxo-cyclohexen-1-yl)methyl]cyclohexane-1,3-dione CAS Name: 2-[(4-bromophenyl)-(2-hydroxy-6-oxo-1-cyclohexenyl)methyl]cyclohexane-1,3-dione IUPAC Name: 2-[(4-bromophenyl)-(2-hydroxy-6-oxocyclohexen-1-yl)methyl]cyclohexane-1,3-dione Traditional Name: 2-[(4-bromophenyl)-(2-hydroxy-6-keto-cyclohexen-1-yl)methyl]cyclohexane-1,3-quinone Formula: C19H19BrO4 MolecularWeight: 391.25576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)C(C2=CC=C(C=C2)Br)C3=C(CCCC3=O)O

Isomeric SMILES

C1CC(=O)C(C(=O)C1)C(C2=CC=C(C=C2)Br)C3=C(CCCC3=O)O

InChI

InChI=1S/C19H19BrO4/c20-12-9-7-11(8-10-12)17(18-13(21)3-1-4-14(18)22)19-15(23)5-2-6-16(19)24/h7-10,17-18,23H,1-6H2