triphenyl-[1,1,3,3-tetradeuterio-2,4-bis(oxidanylidene)-4-propan-2-yloxy-butyl]phosphanium bromide

Systemtic Name: triphenyl-[1,1,3,3-tetradeuterio-2,4-bis(oxidanylidene)-4-propan-2-yloxy-butyl]phosphanium bromide Openeye Name: triphenyl-(1,1,3,3-tetradeuterio-4-isopropoxy-2,4-dioxo-butyl)phosphonium bromide CAS Name: triphenyl-(1,1,3,3-tetradeuterio-2,4-dioxo-4-propan-2-yloxybutyl)phosphonium bromide IUPAC Name: triphenyl-(1,1,3,3-tetradeuterio-2,4-dioxo-4-propan-2-yloxybutyl)phosphanium bromide Traditional Name: triphenyl-(1,1,3,3-tetradeuterio-4-isopropoxy-2,4-diketo-butyl)phosphonium bromide Formula: C25H26BrO3P MolecularWeight: 489.374548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C([2H])(C(=O)C([2H])([2H])[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)C.[Br-]

InChI

InChI=1S/C25H26O3P.BrH/c1-20(2)28-25(27)18-21(26)19-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;/h3-17,20H,18-19H2,1-2H3;1H/q+1;/p-1/i18D2,19D2;