[4-(4-bromophenyl)-4-oxidanylidene-3-phenyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-3-phenyl-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(4-bromophenyl)-4-oxo-3-phenyl-1-phosphono-butyl]phosphonic acid CAS Name: [4-(4-bromophenyl)-4-oxo-3-phenyl-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(4-bromophenyl)-4-oxo-3-phenyl-1-phosphonobutyl]phosphonic acid Traditional Name: [4-(4-bromophenyl)-4-keto-3-phenyl-1-phosphono-butyl]phosphonic acid Formula: C16H17BrO7P2 MolecularWeight: 463.153502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrO7P2/c17-13-8-6-12(7-9-13)16(18)14(11-4-2-1-3-5-11)10-15(25(19,20)21)26(22,23)24/h1-9,14-15H,10H2,(H2,19,20,21)(H2,22,23,24)