[(E)-4,4-dimethyl-6-oxidanylidene-hept-1-enyl]-triphenyl-phosphanium

Systemtic Name: [(E)-4,4-dimethyl-6-oxidanylidene-hept-1-enyl]-triphenyl-phosphanium Openeye Name: [(E)-4,4-dimethyl-6-oxo-hept-1-enyl]-triphenyl-phosphonium CAS Name: [(E)-4,4-dimethyl-6-oxohept-1-enyl]-triphenylphosphonium IUPAC Name: [(E)-4,4-dimethyl-6-oxohept-1-enyl]-triphenylphosphanium Traditional Name: [(E)-6-keto-4,4-dimethyl-hept-1-enyl]-triphenyl-phosphonium Formula: C27H30OP+ MolecularWeight: 401.500261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)CC(C)(C)C/C=C/[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H30OP/c1-23(28)22-27(2,3)20-13-21-29(24-14-7-4-8-15-24,25-16-9-5-10-17-25)26-18-11-6-12-19-26/h4-19,21H,20,22H2,1-3H3/q+1/b21-13+