1,1'-biphenyl; 4-phosphonobutylphosphonic acid

Systemtic Name: 1,1'-biphenyl; 4-phosphonobutylphosphonic acid Openeye Name: biphenyl; 4-phosphonobutylphosphonic acid CAS Name: 1,1'-biphenyl; 4-phosphonobutylphosphonic acid IUPAC Name: 1,1'-biphenyl; 4-phosphonobutylphosphonic acid Traditional Name: biphenyl; 4-phosphonobutylphosphonic acid Formula: C16H22O6P2 MolecularWeight: 372.289802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2.C(CCP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2.C(CCP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C12H10.C4H12O6P2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;5-11(6,7)3-1-2-4-12(8,9)10/h1-10H;1-4H2,(H2,5,6,7)(H2,8,9,10)