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

Systemtic Name: (3,3-dimethyl-5-oxidanylidene-cyclohexylidene)oxidanium octabromide Openeye Name: (3,3-dimethyl-5-oxo-cyclohexylidene)oxonium octabromide CAS Name: (3,3-dimethyl-5-oxocyclohexylidene)oxonium octabromide IUPAC Name: (3,3-dimethyl-5-oxocyclohexylidene)oxidanium octabromide Traditional Name: (5-keto-3,3-dimethyl-cyclohexylidene)oxonium octabromide Formula: C64H104Br8O16 MolecularWeight: 1768.73296

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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-].[Br-].[Br-].[Br-].[Br-].[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-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-]

InChI

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