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

Systemtic Name: (3,3-dimethyl-5-oxidanylidene-cyclohexylidene)oxidanium heptabromide Openeye Name: (3,3-dimethyl-5-oxo-cyclohexylidene)oxonium heptabromide CAS Name: (3,3-dimethyl-5-oxocyclohexylidene)oxonium heptabromide IUPAC Name: (3,3-dimethyl-5-oxocyclohexylidene)oxidanium heptabromide Traditional Name: (5-keto-3,3-dimethyl-cyclohexylidene)oxonium heptabromide Formula: C56H91Br7O14 MolecularWeight: 1547.64134

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

InChI

InChI=1S/7C8H12O2.7BrH/c7*1-8(2)4-6(9)3-7(10)5-8;;;;;;;/h7*3-5H2,1-2H3;7*1H