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1-(cyclohexylcarbamoyloxy)ethyl 3-acetamido-2,4,6-tris(iodanyl)benzoate

1-(cyclohexylcarbamoyloxy)ethyl 3-acetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name:1-(cyclohexylcarbamoyloxy)ethyl 3-acetamido-2,4,6-tris(iodanyl)benzoate
Openeye Name:1-(cyclohexylcarbamoyloxy)ethyl 3-acetamido-2,4,6-triiodo-benzoate
CAS Name:3-acetamido-2,4,6-triiodobenzoic acid 1-[(cyclohexylamino)-oxomethoxy]ethyl ester
IUPAC Name:1-(cyclohexylcarbamoyloxy)ethyl 3-acetamido-2,4,6-triiodobenzoate
Traditional Name:3-acetamido-2,4,6-triiodo-benzoic acid 1-(cyclohexylcarbamoyloxy)ethyl ester
Formula: C18H21I3N2O5
MolecularWeight: 726.08315
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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C1=C(C(=C(C=C1I)I)NC(=O)C)I)OC(=O)NC2CCCCC2


Isomeric SMILES

CC(OC(=O)C1=C(C(=C(C=C1I)I)NC(=O)C)I)OC(=O)NC2CCCCC2


InChI

InChI=1S/C18H21I3N2O5/c1-9(24)22-16-13(20)8-12(19)14(15(16)21)17(25)27-10(2)28-18(26)23-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,22,24)(H,23,26)


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