2-[[3-(iodanylmethyl)phenyl]carbonylamino]ethanesulfonic acid

Systemtic Name: 2-[[3-(iodanylmethyl)phenyl]carbonylamino]ethanesulfonic acid Openeye Name: 2-[[3-(iodomethyl)benzoyl]amino]ethanesulfonic acid CAS Name: 2-[[[3-(iodomethyl)phenyl]-oxomethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[3-(iodomethyl)benzoyl]amino]ethanesulfonic acid Traditional Name: 2-[[3-(iodomethyl)benzoyl]amino]ethanesulfonic acid Formula: C10H12INO4S MolecularWeight: 369.17605

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CI)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CI)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C10H12INO4S/c11-7-8-2-1-3-9(6-8)10(13)12-4-5-17(14,15)16/h1-3,6H,4-5,7H2,(H,12,13)(H,14,15,16)