[3-(3-azanyl-3-oxidanylidene-propyl)-2-iodanyl-4-oxidanyl-phenyl] methanesulfonate

Systemtic Name: [3-(3-azanyl-3-oxidanylidene-propyl)-2-iodanyl-4-oxidanyl-phenyl] methanesulfonate Openeye Name: [3-(3-amino-3-oxo-propyl)-4-hydroxy-2-iodo-phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-(3-amino-3-oxopropyl)-4-hydroxy-2-iodophenyl] ester IUPAC Name: [3-(3-amino-3-oxopropyl)-4-hydroxy-2-iodophenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(3-amino-3-keto-propyl)-4-hydroxy-2-iodo-phenyl] ester Formula: C10H12INO5S MolecularWeight: 385.17545

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C(=C(C=C1)O)CCC(=O)N)I

Isomeric SMILES

CS(=O)(=O)OC1=C(C(=C(C=C1)O)CCC(=O)N)I

InChI

InChI=1S/C10H12INO5S/c1-18(15,16)17-8-4-3-7(13)6(10(8)11)2-5-9(12)14/h3-4,13H,2,5H2,1H3,(H2,12,14)