2-(2-oxidanyl-5-phosphono-phenyl)-4-(4-phosphonophenyl)butanoic acid

Systemtic Name: 2-(2-oxidanyl-5-phosphono-phenyl)-4-(4-phosphonophenyl)butanoic acid Openeye Name: 2-(2-hydroxy-5-phosphono-phenyl)-4-(4-phosphonophenyl)butanoic acid CAS Name: 2-(2-hydroxy-5-phosphonophenyl)-4-(4-phosphonophenyl)butanoic acid IUPAC Name: 2-(2-hydroxy-5-phosphonophenyl)-4-(4-phosphonophenyl)butanoic acid Traditional Name: 2-(2-hydroxy-5-phosphono-phenyl)-4-(4-phosphonophenyl)butyric acid Formula: C16H18O9P2 MolecularWeight: 416.256242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C2=C(C=CC(=C2)P(=O)(O)O)O)C(=O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CCC(C2=C(C=CC(=C2)P(=O)(O)O)O)C(=O)O)P(=O)(O)O

InChI

InChI=1S/C16H18O9P2/c17-15-8-6-12(27(23,24)25)9-14(15)13(16(18)19)7-3-10-1-4-11(5-2-10)26(20,21)22/h1-2,4-6,8-9,13,17H,3,7H2,(H,18,19)(H2,20,21,22)(H2,23,24,25)