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

Systemtic Name: [3-(3-azanyl-3-oxidanylidene-propyl)-2-iodanyl-4-prop-2-enoxy-phenyl] methanesulfonate Openeye Name: [4-allyloxy-3-(3-amino-3-oxo-propyl)-2-iodo-phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-(3-amino-3-oxopropyl)-2-iodo-4-prop-2-enoxyphenyl] ester IUPAC Name: [3-(3-amino-3-oxopropyl)-2-iodo-4-prop-2-enoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-allyloxy-3-(3-amino-3-keto-propyl)-2-iodo-phenyl] ester Formula: C13H16INO5S MolecularWeight: 425.23931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16INO5S/c1-3-8-19-10-5-6-11(20-21(2,17)18)13(14)9(10)4-7-12(15)16/h3,5-6H,1,4,7-8H2,2H3,(H2,15,16)