[(Z)-2,4-diethoxy-4-oxidanylidene-3-(phenylmethyl)but-1-enyl]-triphenyl-phosphanium bromide

Systemtic Name: [(Z)-2,4-diethoxy-4-oxidanylidene-3-(phenylmethyl)but-1-enyl]-triphenyl-phosphanium bromide Openeye Name: [(Z)-3-benzyl-2,4-diethoxy-4-oxo-but-1-enyl]-triphenyl-phosphonium bromide CAS Name: [(Z)-2,4-diethoxy-4-oxo-3-(phenylmethyl)but-1-enyl]-triphenylphosphonium bromide IUPAC Name: [(Z)-3-benzyl-2,4-diethoxy-4-oxobut-1-enyl]-triphenylphosphanium bromide Traditional Name: [(Z)-3-benzyl-2,4-diethoxy-4-keto-but-1-enyl]-triphenyl-phosphonium bromide Formula: C33H34BrO3P MolecularWeight: 589.499021

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(CC4=CC=CC=C4)C(=O)OCC.[Br-]

Isomeric SMILES

CCO/C(=C\[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C(CC4=CC=CC=C4)C(=O)OCC.[Br-]

InChI

InChI=1S/C33H34O3P.BrH/c1-3-35-32(31(33(34)36-4-2)25-27-17-9-5-10-18-27)26-37(28-19-11-6-12-20-28,29-21-13-7-14-22-29)30-23-15-8-16-24-30;/h5-24,26,31H,3-4,25H2,1-2H3;1H/q+1;/p-1/b32-26-;