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

Systemtic Name: 2-azanyl-3-[3,5-bis(iodanyl)-4-(4-oxidanylphenoxy)-2-(2-phosphonoethanoyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-2-(2-phosphonoacetyl)phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-2-(1-oxo-2-phosphonoethyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-2-(2-phosphonoacetyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-2-(2-phosphonoacetyl)phenyl]propionic acid Formula: C17H16I2NO8P MolecularWeight: 647.093541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)OC2=C(C=C(C(=C2I)C(=O)CP(=O)(O)O)CC(C(=O)O)N)I

Isomeric SMILES

C1=CC(=CC=C1O)OC2=C(C=C(C(=C2I)C(=O)CP(=O)(O)O)CC(C(=O)O)N)I

InChI

InChI=1S/C17H16I2NO8P/c18-11-5-8(6-12(20)17(23)24)14(13(22)7-29(25,26)27)15(19)16(11)28-10-3-1-9(21)2-4-10/h1-5,12,21H,6-7,20H2,(H,23,24)(H2,25,26,27)