[2-(aminomethyl)-4-tert-butyl-6-iodanyl-phenyl] hydrogen sulfate

Systemtic Name: [2-(aminomethyl)-4-tert-butyl-6-iodanyl-phenyl] hydrogen sulfate Openeye Name: [2-(aminomethyl)-4-tert-butyl-6-iodo-phenyl] hydrogen sulfate CAS Name: sulfuric acid [2-(aminomethyl)-4-tert-butyl-6-iodophenyl] ester IUPAC Name: [2-(aminomethyl)-4-tert-butyl-6-iodophenyl] hydrogen sulfate Traditional Name: sulfuric acid [2-(aminomethyl)-4-tert-butyl-6-iodo-phenyl] ester Formula: C11H16INO4S MolecularWeight: 385.21851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)I)OS(=O)(=O)O)CN

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)I)OS(=O)(=O)O)CN

InChI

InChI=1S/C11H16INO4S/c1-11(2,3)8-4-7(6-13)10(9(12)5-8)17-18(14,15)16/h4-5H,6,13H2,1-3H3,(H,14,15,16)