2-azanyl-3-[1,5,5-tris(iodanyl)-4-(4-oxidanylphenoxy)cyclohex-2-en-1-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1,5,5-tris(iodanyl)-4-(4-oxidanylphenoxy)cyclohex-2-en-1-yl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxyphenoxy)-1,5,5-triiodo-cyclohex-2-en-1-yl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxyphenoxy)-1,5,5-triiodo-1-cyclohex-2-enyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxyphenoxy)-1,5,5-triiodocyclohex-2-en-1-yl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxyphenoxy)-1,5,5-triiodo-cyclohex-2-en-1-yl]propionic acid Formula: C15H16I3NO4 MolecularWeight: 655.00525

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC(C1(I)I)OC2=CC=C(C=C2)O)(CC(C(=O)O)N)I

Isomeric SMILES

C1C(C=CC(C1(I)I)OC2=CC=C(C=C2)O)(CC(C(=O)O)N)I

InChI

InChI=1S/C15H16I3NO4/c16-14(7-11(19)13(21)22)6-5-12(15(17,18)8-14)23-10-3-1-9(20)2-4-10/h1-6,11-12,20H,7-8,19H2,(H,21,22)