methyl ethanoate; triphenylphosphanium; bromide

Systemtic Name: methyl ethanoate; triphenylphosphanium; bromide Openeye Name: methyl acetate; triphenylphosphonium; bromide CAS Name: acetic acid methyl ester; triphenylphosphonium; bromide IUPAC Name: methyl acetate; triphenylphosphanium; bromide Traditional Name: acetic acid methyl ester; triphenylphosphonium; bromide Formula: C21H22BrO2P MolecularWeight: 417.275941

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(=O)OC.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H15P.C3H6O2.BrH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3(4)5-2;/h1-15H;1-2H3;1H