3-azanyl-3-[3,5-bis(iodanyl)-2-(4-sulfophenoxy)phenyl]propanoic acid

Systemtic Name: 3-azanyl-3-[3,5-bis(iodanyl)-2-(4-sulfophenoxy)phenyl]propanoic acid Openeye Name: 3-amino-3-[3,5-diiodo-2-(4-sulfophenoxy)phenyl]propanoic acid CAS Name: 3-amino-3-[3,5-diiodo-2-(4-sulfophenoxy)phenyl]propanoic acid IUPAC Name: 3-amino-3-[3,5-diiodo-2-(4-sulfophenoxy)phenyl]propanoic acid Traditional Name: 3-amino-3-[3,5-diiodo-2-(4-sulfophenoxy)phenyl]propionic acid Formula: C15H13I2NO6S MolecularWeight: 589.14076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=C(C=C(C=C2C(CC(=O)O)N)I)I)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1OC2=C(C=C(C=C2C(CC(=O)O)N)I)I)S(=O)(=O)O

InChI

InChI=1S/C15H13I2NO6S/c16-8-5-11(13(18)7-14(19)20)15(12(17)6-8)24-9-1-3-10(4-2-9)25(21,22)23/h1-6,13H,7,18H2,(H,19,20)(H,21,22,23)