[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H25I3N2O5 MolecularWeight: 790.16841

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)I)NC(=O)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)I)NC(=O)C)I

InChI

InChI=1S/C23H25I3N2O5/c1-10(29)27-20-17(24)16(18(25)21(19(20)26)28-11(2)30)22(32)33-9-15(31)23-6-12-3-13(7-23)5-14(4-12)8-23/h12-14H,3-9H2,1-2H3,(H,27,29)(H,28,30)