5-[2-[[2-(4-iodophenyl)-2-oxidanyl-ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate

Systemtic Name: 5-[2-[[2-(4-iodophenyl)-2-oxidanyl-ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate Openeye Name: 5-[2-[[2-hydroxy-2-(4-iodophenyl)ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate CAS Name: 5-[2-[[2-hydroxy-2-(4-iodophenyl)ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate IUPAC Name: 5-[2-[[2-hydroxy-2-(4-iodophenyl)ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate Traditional Name: 5-[2-[[2-hydroxy-2-(4-iodophenyl)ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate Formula: C20H18INO7-2 MolecularWeight: 511.26389

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)[O-])C(=O)[O-])NCC(C3=CC=C(C=C3)I)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)[O-])C(=O)[O-])NCC(C3=CC=C(C=C3)I)O

InChI

InChI=1S/C20H20INO7/c1-11(22-10-15(23)13-3-5-14(21)6-4-13)8-12-2-7-16-17(9-12)29-20(28-16,18(24)25)19(26)27/h2-7,9,11,15,22-23H,8,10H2,1H3,(H,24,25)(H,26,27)/p-2