6-bromanyl-7-ethoxy-3-methyl-5,7-bis(oxidanylidene)-6-triphenylphosphaniumyl-heptanoate

Systemtic Name: 6-bromanyl-7-ethoxy-3-methyl-5,7-bis(oxidanylidene)-6-triphenylphosphaniumyl-heptanoate Openeye Name: 6-bromo-7-ethoxy-3-methyl-5,7-dioxo-6-triphenylphosphaniumyl-heptanoate CAS Name: 6-bromo-7-ethoxy-3-methyl-5,7-dioxo-6-triphenylphosphiniumylheptanoate IUPAC Name: 6-bromo-7-ethoxy-3-methyl-5,7-dioxo-6-triphenylphosphaniumylheptanoate Traditional Name: 6-bromo-7-ethoxy-5,7-diketo-3-methyl-6-triphenylphosphiniumyl-enanthate Formula: C28H28BrO5P MolecularWeight: 555.396681

Click to see the large picture

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