2-[4-[4-(2-phosphonoethylsulfonyl)phenyl]phenyl]sulfonylethylphosphonic acid

Systemtic Name: 2-[4-[4-(2-phosphonoethylsulfonyl)phenyl]phenyl]sulfonylethylphosphonic acid Openeye Name: 2-[4-[4-(2-phosphonoethylsulfonyl)phenyl]phenyl]sulfonylethylphosphonic acid CAS Name: 2-[4-[4-(2-phosphonoethylsulfonyl)phenyl]phenyl]sulfonylethylphosphonic acid IUPAC Name: 2-[4-[4-(2-phosphonoethylsulfonyl)phenyl]phenyl]sulfonylethylphosphonic acid Traditional Name: 2-[4-[4-(2-phosphonoethylsulfonyl)phenyl]phenyl]sulfonylethylphosphonic acid Formula: C16H20O10P2S2 MolecularWeight: 498.401522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)CCP(=O)(O)O)S(=O)(=O)CCP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)CCP(=O)(O)O)S(=O)(=O)CCP(=O)(O)O

InChI

InChI=1S/C16H20O10P2S2/c17-27(18,19)9-11-29(23,24)15-5-1-13(2-6-15)14-3-7-16(8-4-14)30(25,26)12-10-28(20,21)22/h1-8H,9-12H2,(H2,17,18,19)(H2,20,21,22)