2-[[4-(2,3-diphosphonopropanoylamino)-2-iodanyl-phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-(2,3-diphosphonopropanoylamino)-2-iodanyl-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(2,3-diphosphonopropanoylamino)-2-iodo-benzoyl]amino]acetic acid CAS Name: 2-[[[2-iodo-4-[(1-oxo-2,3-diphosphonopropyl)amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(2,3-diphosphonopropanoylamino)-2-iodobenzoyl]amino]acetic acid Traditional Name: 2-[[4-(2,3-diphosphonopropanoylamino)-2-iodo-benzoyl]amino]acetic acid Formula: C12H15IN2O10P2 MolecularWeight: 536.106892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C(CP(=O)(O)O)P(=O)(O)O)I)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C(CP(=O)(O)O)P(=O)(O)O)I)C(=O)NCC(=O)O

InChI

InChI=1S/C12H15IN2O10P2/c13-8-3-6(1-2-7(8)11(18)14-4-10(16)17)15-12(19)9(27(23,24)25)5-26(20,21)22/h1-3,9H,4-5H2,(H,14,18)(H,15,19)(H,16,17)(H2,20,21,22)(H2,23,24,25)