4-(4-bromophenyl)-2-diphenylphosphoryl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-bromophenyl)-2-diphenylphosphoryl-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromophenyl)-2-diphenylphosphoryl-4-oxo-butanoic acid CAS Name: 4-(4-bromophenyl)-2-diphenylphosphoryl-4-oxobutanoic acid IUPAC Name: 4-(4-bromophenyl)-2-diphenylphosphoryl-4-oxobutanoic acid Traditional Name: 4-(4-bromophenyl)-2-diphenylphosphoryl-4-keto-butyric acid Formula: C22H18BrO4P MolecularWeight: 457.253681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(CC(=O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(CC(=O)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C22H18BrO4P/c23-17-13-11-16(12-14-17)20(24)15-21(22(25)26)28(27,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21H,15H2,(H,25,26)