[4-[5-(1,3-dioxan-2-yl)-2-methoxy-phenoxy]phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-[5-(1,3-dioxan-2-yl)-2-methoxy-phenoxy]phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-[5-(1,3-dioxan-2-yl)-2-methoxy-phenoxy]phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-[5-(1,3-dioxan-2-yl)-2-methoxyphenoxy]phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-[5-(1,3-dioxan-2-yl)-2-methoxyphenoxy]phenyl]methyl-triphenylphosphanium bromide Traditional Name: [4-[5-(1,3-dioxan-2-yl)-2-methoxy-phenoxy]benzyl]-triphenyl-phosphonium bromide Formula: C36H34BrO4P MolecularWeight: 641.530521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2OCCCO2)OC3=CC=C(C=C3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2OCCCO2)OC3=CC=C(C=C3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C36H34O4P.BrH/c1-37-34-23-20-29(36-38-24-11-25-39-36)26-35(34)40-30-21-18-28(19-22-30)27-41(31-12-5-2-6-13-31,32-14-7-3-8-15-32)33-16-9-4-10-17-33;/h2-10,12-23,26,36H,11,24-25,27H2,1H3;1H/q+1;/p-1