[2-bromanyl-1-ethoxy-5-methyl-7-oxidanyl-1,3,7-tris(oxidanylidene)heptan-2-yl]-triphenyl-phosphanium

Systemtic Name: [2-bromanyl-1-ethoxy-5-methyl-7-oxidanyl-1,3,7-tris(oxidanylidene)heptan-2-yl]-triphenyl-phosphanium Openeye Name: (1-bromo-1-ethoxycarbonyl-6-hydroxy-4-methyl-2,6-dioxo-hexyl)-triphenyl-phosphonium CAS Name: (2-bromo-1-ethoxy-7-hydroxy-5-methyl-1,3,7-trioxoheptan-2-yl)-triphenylphosphonium IUPAC Name: (2-bromo-1-ethoxy-7-hydroxy-5-methyl-1,3,7-trioxoheptan-2-yl)-triphenylphosphanium Traditional Name: (1-bromo-1-carbethoxy-6-hydroxy-2,6-diketo-4-methyl-hexyl)-triphenyl-phosphonium Formula: C28H29BrO5P+ MolecularWeight: 556.404621

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)CC(C)CC(=O)O)([P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CCOC(=O)C(C(=O)CC(C)CC(=O)O)([P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C28H28BrO5P/c1-3-34-27(33)28(29,25(30)19-21(2)20-26(31)32)35(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,21H,3,19-20H2,1-2H3/p+1