6-[[(E)-1-[4-(2-iodanylphenoxy)phenyl]-3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[[(E)-1-[4-(2-iodanylphenoxy)phenyl]-3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[[(E)-1-carboxy-2-[4-(2-iodophenoxy)phenyl]vinyl]amino]-6-oxo-hexanoic acid CAS Name: 6-[[(E)-3-hydroxy-1-[4-(2-iodophenoxy)phenyl]-3-oxoprop-1-en-2-yl]amino]-6-oxohexanoic acid IUPAC Name: 6-[[(E)-3-hydroxy-1-[4-(2-iodophenoxy)phenyl]-3-oxoprop-1-en-2-yl]amino]-6-oxohexanoic acid Traditional Name: 6-[[(E)-1-carboxy-2-[4-(2-iodophenoxy)phenyl]vinyl]amino]-6-keto-hexanoic acid Formula: C21H20INO6 MolecularWeight: 509.29107

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC2=CC=C(C=C2)C=C(C(=O)O)NC(=O)CCCCC(=O)O)I

Isomeric SMILES

C1=CC=C(C(=C1)OC2=CC=C(C=C2)/C=C(\C(=O)O)/NC(=O)CCCCC(=O)O)I

InChI

InChI=1S/C21H20INO6/c22-16-5-1-2-6-18(16)29-15-11-9-14(10-12-15)13-17(21(27)28)23-19(24)7-3-4-8-20(25)26/h1-2,5-6,9-13H,3-4,7-8H2,(H,23,24)(H,25,26)(H,27,28)/b17-13+