3-[4-(5-ethoxy-4,4-dimethyl-5-oxidanylidene-pentoxy)phenoxy]propyl-triphenyl-phosphanium bromide

Systemtic Name: 3-[4-(5-ethoxy-4,4-dimethyl-5-oxidanylidene-pentoxy)phenoxy]propyl-triphenyl-phosphanium bromide Openeye Name: 3-[4-(5-ethoxy-4,4-dimethyl-5-oxo-pentoxy)phenoxy]propyl-triphenyl-phosphonium bromide CAS Name: 3-[4-(5-ethoxy-4,4-dimethyl-5-oxopentoxy)phenoxy]propyl-triphenylphosphonium bromide IUPAC Name: 3-[4-(5-ethoxy-4,4-dimethyl-5-oxopentoxy)phenoxy]propyl-triphenylphosphanium bromide Traditional Name: 3-[4-(5-ethoxy-5-keto-4,4-dimethyl-pentoxy)phenoxy]propyl-triphenyl-phosphonium bromide Formula: C36H42BrO4P MolecularWeight: 649.594041

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCOC1=CC=C(C=C1)OCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)C(C)(C)CCCOC1=CC=C(C=C1)OCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C36H42O4P.BrH/c1-4-38-35(37)36(2,3)26-14-27-39-30-22-24-31(25-23-30)40-28-15-29-41(32-16-8-5-9-17-32,33-18-10-6-11-19-33)34-20-12-7-13-21-34;/h5-13,16-25H,4,14-15,26-29H2,1-3H3;1H/q+1;/p-1