[(E)-4-ethoxy-3-methyl-4-oxidanylidene-but-2-enyl]-triphenyl-phosphanium; ethyl sulfate

Systemtic Name: [(E)-4-ethoxy-3-methyl-4-oxidanylidene-but-2-enyl]-triphenyl-phosphanium; ethyl sulfate Openeye Name: [(E)-4-ethoxy-3-methyl-4-oxo-but-2-enyl]-triphenyl-phosphonium; ethyl sulfate CAS Name: [(E)-4-ethoxy-3-methyl-4-oxobut-2-enyl]-triphenylphosphonium; ethyl sulfate IUPAC Name: [(E)-4-ethoxy-3-methyl-4-oxobut-2-enyl]-triphenylphosphanium; ethyl sulfate Traditional Name: [(E)-4-ethoxy-4-keto-3-methyl-but-2-enyl]-triphenyl-phosphonium; ethyl sulfate Formula: C27H31O6PS MolecularWeight: 514.570201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)/C(=C/C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C25H26O2P.C2H6O4S/c1-3-27-25(26)21(2)19-20-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24;1-2-6-7(3,4)5/h4-19H,3,20H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1/b21-19+;