(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)oxidanium dibromide

Systemtic Name: (3,3-dimethyl-5-oxidanylidene-cyclohexylidene)oxidanium dibromide Openeye Name: (3,3-dimethyl-5-oxo-cyclohexylidene)oxonium dibromide CAS Name: (3,3-dimethyl-5-oxocyclohexylidene)oxonium dibromide IUPAC Name: (3,3-dimethyl-5-oxocyclohexylidene)oxidanium dibromide Traditional Name: (5-keto-3,3-dimethyl-cyclohexylidene)oxonium dibromide Formula: C64H104Br2O16+6 MolecularWeight: 1289.30896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=[OH+])CC(=O)C1)C.CC1(CC(=[OH+])CC(=O)C1)C.CC1(CC(=[OH+])CC(=O)C1)C.CC1(CC(=[OH+])CC(=O)C1)C.CC1(CC(=[OH+])CC(=O)C1)C.CC1(CC(=[OH+])CC(=O)C1)C.CC1(CC(=[OH+])CC(=O)C1)C.CC1(CC(=[OH+])CC(=O)C1)C.[Br-].[Br-]

Isomeric SMILES

CC1(CC(=[OH+])CC(=O)C1)C.CC1(CC(=[OH+])CC(=O)C1)C.CC1(CC(=[OH+])CC(=O)C1)C.CC1(CC(=[OH+])CC(=O)C1)C.CC1(CC(=[OH+])CC(=O)C1)C.CC1(CC(=[OH+])CC(=O)C1)C.CC1(CC(=[OH+])CC(=O)C1)C.CC1(CC(=[OH+])CC(=O)C1)C.[Br-].[Br-]

InChI

InChI=1S/8C8H12O2.2BrH/c8*1-8(2)4-6(9)3-7(10)5-8;;/h8*3-5H2,1-2H3;2*1H/p+6