[3-(2-acetamidoethyl)-2-iodanyl-5-methoxy-1H-indol-6-yl]oxy hydrogen sulfate

Systemtic Name: [3-(2-acetamidoethyl)-2-iodanyl-5-methoxy-1H-indol-6-yl]oxy hydrogen sulfate Openeye Name: [3-(2-acetamidoethyl)-2-iodo-5-methoxy-1H-indol-6-yl]oxy hydrogen sulfate CAS Name: sulfuric acid [3-(2-acetamidoethyl)-2-iodo-5-methoxy-1H-indol-6-yl]oxy ester IUPAC Name: [3-(2-acetamidoethyl)-2-iodo-5-methoxy-1H-indol-6-yl]oxy hydrogen sulfate Traditional Name: sulfuric acid [3-(2-acetamidoethyl)-2-iodo-5-methoxy-1H-indol-6-yl]oxy ester Formula: C13H15IN2O7S MolecularWeight: 470.23687

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=C(NC2=CC(=C(C=C21)OC)OOS(=O)(=O)O)I

Isomeric SMILES

CC(=O)NCCC1=C(NC2=CC(=C(C=C21)OC)OOS(=O)(=O)O)I

InChI

InChI=1S/C13H15IN2O7S/c1-7(17)15-4-3-8-9-5-11(21-2)12(22-23-24(18,19)20)6-10(9)16-13(8)14/h5-6,16H,3-4H2,1-2H3,(H,15,17)(H,18,19,20)