5,5-dimethyl-3-oxidanylidene-2-(3-oxidanylidene-1-triphenylphosphaniumyl-butan-2-yl)cyclohexen-1-olate

Systemtic Name: 5,5-dimethyl-3-oxidanylidene-2-(3-oxidanylidene-1-triphenylphosphaniumyl-butan-2-yl)cyclohexen-1-olate Openeye Name: 5,5-dimethyl-3-oxo-2-[2-oxo-1-(triphenylphosphaniumylmethyl)propyl]cyclohexen-1-olate CAS Name: 5,5-dimethyl-3-oxo-2-(3-oxo-1-triphenylphosphiniumylbutan-2-yl)-1-cyclohexenolate IUPAC Name: 5,5-dimethyl-3-oxo-2-(3-oxo-1-triphenylphosphaniumylbutan-2-yl)cyclohexen-1-olate Traditional Name: 3-keto-2-[2-keto-1-(triphenylphosphiniumylmethyl)propyl]-5,5-dimethyl-cyclohexen-1-olate Formula: C30H31O3P MolecularWeight: 470.539101

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(CC(CC4=O)(C)C)[O-]

Isomeric SMILES

CC(=O)C(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(CC(CC4=O)(C)C)[O-]

InChI

InChI=1S/C30H31O3P/c1-22(31)26(29-27(32)19-30(2,3)20-28(29)33)21-34(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26H,19-21H2,1-3H3