[(E)-3-methyl-4-oxidanylidene-4-propan-2-yloxy-but-2-enyl]-triphenyl-phosphanium

Systemtic Name: [(E)-3-methyl-4-oxidanylidene-4-propan-2-yloxy-but-2-enyl]-triphenyl-phosphanium Openeye Name: [(E)-4-isopropoxy-3-methyl-4-oxo-but-2-enyl]-triphenyl-phosphonium CAS Name: [(E)-3-methyl-4-oxo-4-propan-2-yloxybut-2-enyl]-triphenylphosphonium IUPAC Name: [(E)-3-methyl-4-oxo-4-propan-2-yloxybut-2-enyl]-triphenylphosphanium Traditional Name: [(E)-4-isopropoxy-4-keto-3-methyl-but-2-enyl]-triphenyl-phosphonium Formula: C26H28O2P+ MolecularWeight: 403.473081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28O2P/c1-21(2)28-26(27)22(3)19-20-29(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-19,21H,20H2,1-3H3/q+1/b22-19+