2-(2-bromanyl-3-ethoxy-3-oxidanylidene-2-triphenylphosphaniumyl-propanoyl)-4,5-bis(chloranyl)benzoate

Systemtic Name: 2-(2-bromanyl-3-ethoxy-3-oxidanylidene-2-triphenylphosphaniumyl-propanoyl)-4,5-bis(chloranyl)benzoate Openeye Name: 2-(2-bromo-3-ethoxy-3-oxo-2-triphenylphosphaniumyl-propanoyl)-4,5-dichloro-benzoate CAS Name: 2-(2-bromo-3-ethoxy-1,3-dioxo-2-triphenylphosphiniumylpropyl)-4,5-dichlorobenzoate IUPAC Name: 2-(2-bromo-3-ethoxy-3-oxo-2-triphenylphosphaniumylpropanoyl)-4,5-dichlorobenzoate Traditional Name: 2-(2-bromo-3-ethoxy-3-keto-2-triphenylphosphiniumyl-propanoyl)-4,5-dichloro-benzoate Formula: C30H22BrCl2O5P MolecularWeight: 644.276441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=CC(=C(C=C1C(=O)[O-])Cl)Cl)([P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CCOC(=O)C(C(=O)C1=CC(=C(C=C1C(=O)[O-])Cl)Cl)([P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C30H22BrCl2O5P/c1-2-38-29(37)30(31,27(34)23-18-25(32)26(33)19-24(23)28(35)36)39(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,2H2,1H3