7-(2-hexyl-5,5-dimethyl-1,3-dioxan-2-yl)heptyl-triphenyl-phosphanium bromide

Systemtic Name: 7-(2-hexyl-5,5-dimethyl-1,3-dioxan-2-yl)heptyl-triphenyl-phosphanium bromide Openeye Name: 7-(2-hexyl-5,5-dimethyl-1,3-dioxan-2-yl)heptyl-triphenyl-phosphonium bromide CAS Name: 7-(2-hexyl-5,5-dimethyl-1,3-dioxan-2-yl)heptyl-triphenylphosphonium bromide IUPAC Name: 7-(2-hexyl-5,5-dimethyl-1,3-dioxan-2-yl)heptyl-triphenylphosphanium bromide Traditional Name: 7-(2-hexyl-5,5-dimethyl-1,3-dioxan-2-yl)heptyl-triphenyl-phosphonium bromide Formula: C37H52BrO2P MolecularWeight: 639.685341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(OCC(CO1)(C)C)CCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCCCC1(OCC(CO1)(C)C)CCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C37H52O2P.BrH/c1-4-5-6-19-28-37(38-31-36(2,3)32-39-37)29-20-8-7-9-21-30-40(33-22-13-10-14-23-33,34-24-15-11-16-25-34)35-26-17-12-18-27-35;/h10-18,22-27H,4-9,19-21,28-32H2,1-3H3;1H/q+1;/p-1