[2-(2-chloranyl-4-methoxycarbonyl-phenyl)-2-oxidanylidene-ethyl]-triphenyl-phosphanium bromide

Systemtic Name: [2-(2-chloranyl-4-methoxycarbonyl-phenyl)-2-oxidanylidene-ethyl]-triphenyl-phosphanium bromide Openeye Name: [2-(2-chloro-4-methoxycarbonyl-phenyl)-2-oxo-ethyl]-triphenyl-phosphonium bromide CAS Name: [2-(2-chloro-4-methoxycarbonylphenyl)-2-oxoethyl]-triphenylphosphonium bromide IUPAC Name: [2-(2-chloro-4-methoxycarbonylphenyl)-2-oxoethyl]-triphenylphosphanium bromide Traditional Name: [2-(4-carbomethoxy-2-chloro-phenyl)-2-keto-ethyl]-triphenyl-phosphonium bromide Formula: C28H23BrClO3P MolecularWeight: 553.811181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23ClO3P.BrH/c1-32-28(31)21-17-18-25(26(29)19-21)27(30)20-33(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-19H,20H2,1H3;1H/q+1;/p-1