(2S)-2-azanyl-3-[3-iodanyl-4-(3-iodanyl-4-sulfooxy-phenoxy)phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[3-iodanyl-4-(3-iodanyl-4-sulfooxy-phenoxy)phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[3-iodo-4-(3-iodo-4-sulfooxy-phenoxy)phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[3-iodo-4-(3-iodo-4-sulfooxyphenoxy)phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[3-iodo-4-(3-iodo-4-sulfooxyphenoxy)phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[3-iodo-4-(3-iodo-4-sulfoxy-phenoxy)phenyl]propionic acid Formula: C15H13I2NO7S MolecularWeight: 605.14016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C=C2)OS(=O)(=O)O)I

Isomeric SMILES

C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)OC2=CC(=C(C=C2)OS(=O)(=O)O)I

InChI

InChI=1S/C15H13I2NO7S/c16-10-5-8(6-12(18)15(19)20)1-3-13(10)24-9-2-4-14(11(17)7-9)25-26(21,22)23/h1-5,7,12H,6,18H2,(H,19,20)(H,21,22,23)/t12-/m0/s1