[(E)-4-acetyloxy-2-methyl-but-2-enyl]-triphenyl-phosphanium chloride

Systemtic Name: [(E)-4-acetyloxy-2-methyl-but-2-enyl]-triphenyl-phosphanium chloride Openeye Name: [(E)-4-acetoxy-2-methyl-but-2-enyl]-triphenyl-phosphonium chloride CAS Name: [(E)-4-acetyloxy-2-methylbut-2-enyl]-triphenylphosphonium chloride IUPAC Name: [(E)-4-acetyloxy-2-methylbut-2-enyl]-triphenylphosphanium chloride Traditional Name: [(E)-4-acetoxy-2-methyl-but-2-enyl]-triphenyl-phosphonium chloride Formula: C25H26ClO2P MolecularWeight: 424.899501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\COC(=O)C)/C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C25H26O2P.ClH/c1-21(18-19-27-22(2)26)20-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25;/h3-18H,19-20H2,1-2H3;1H/q+1;/p-1/b21-18+;